amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate

C113H120ClF15N13O25- — CID 159560776

IUPACamino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
SMILESCC1CCC(C(=O)N(CC(=O)N2CCCC2)c2ccc(Oc3ncccc3C(F)(F)F)cc2C(=O)O)CC1.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(CC(=O)O)C(=O)C1CCC(C)CC1.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(CC(=O)OC(C)(C)C)C(=O)C1CCC(C)CC1.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(Cl)[N-]N.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1NCC(=O)OC(C)(C)C
InChIInChI=1S/C28H33F3N2O6.C27H30F3N3O5.C24H25F3N2O6.C20H21F3N2O5.C14H11ClF3N4O3/c1-17-8-10-18(11-9-17)25(35)33(16-23(34)39-27(2,3)4)22-13-12-19(15-20(22)26(36)37-5)38-24-21(28(29,30)31)7-6-14-32-24;1-17-6-8-18(9-7-17)25(35)33(16-23(34)32-13-2-3-14-32)22-11-10-19(15-20(22)26(36)37)38-24-21(27(28,29)30)5-4-12-31-24;1-14-5-7-15(8-6-14)22(32)29(13-20(30)31)19-10-9-16(12-17(19)23(33)34-2)35-21-18(24(25,26)27)4-3-11-28-21;1-19(2,3)30-16(26)11-25-15-8-7-12(10-13(15)18(27)28-4)29-17-14(20(21,22)23)6-5-9-24-17;1-24-13(23)9-7-8(4-5-11(9)22(15)21-19)25-12-10(14(16,17)18)3-2-6-20-12/h6-7,12-15,17-18H,8-11,16H2,1-5H3;4-5,10-12,15,17-18H,2-3,6-9,13-14,16H2,1H3,(H,36,37);3-4,9-12,14-15H,5-8,13H2,1-2H3,(H,30,31);5-10,25H,11H2,1-4H3;2-7H,19H2,1H3/q;;;;-1
InChIKeyZDSMFTGXFYUVRI-UHFFFAOYSA-N
MW2380.69 g/mol
LogP24.71
Rot. Bonds32

About amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate

amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate (PubChem CID 159560776) has the molecular formula C113H120ClF15N13O25- and a molecular weight of 2380.69 g/mol. Its IUPAC name is amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Nameamino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
PubChem CID159560776
Molecular FormulaC113H120ClF15N13O25-
Molecular Weight2380.69 g/mol
Exact Mass2378.80
IUPAC Nameamino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
SMILESCC1CCC(C(=O)N(CC(=O)N2CCCC2)c2ccc(Oc3ncccc3C(F)(F)F)cc2C(=O)O)CC1.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(CC(=O)O)C(=O)C1CCC(C)CC1.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(CC(=O)OC(C)(C)C)C(=O)C1CCC(C)CC1.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(Cl)[N-]N.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1NCC(=O)OC(C)(C)C
InChIInChI=1S/C28H33F3N2O6.C27H30F3N3O5.C24H25F3N2O6.C20H21F3N2O5.C14H11ClF3N4O3/c1-17-8-10-18(11-9-17)25(35)33(16-23(34)39-27(2,3)4)22-13-12-19(15-20(22)26(36)37-5)38-24-21(28(29,30)31)7-6-14-32-24;1-17-6-8-18(9-7-17)25(35)33(16-23(34)32-13-2-3-14-32)22-11-10-19(15-20(22)26(36)37)38-24-21(27(28,29)30)5-4-12-31-24;1-14-5-7-15(8-6-14)22(32)29(13-20(30)31)19-10-9-16(12-17(19)23(33)34-2)35-21-18(24(25,26)27)4-3-11-28-21;1-19(2,3)30-16(26)11-25-15-8-7-12(10-13(15)18(27)28-4)29-17-14(20(21,22)23)6-5-9-24-17;1-24-13(23)9-7-8(4-5-11(9)22(15)21-19)25-12-10(14(16,17)18)3-2-6-20-12/h6-7,12-15,17-18H,8-11,16H2,1-5H3;4-5,10-12,15,17-18H,2-3,6-9,13-14,16H2,1H3,(H,36,37);3-4,9-12,14-15H,5-8,13H2,1-2H3,(H,30,31);5-10,25H,11H2,1-4H3;2-7H,19H2,1H3/q;;;;-1
InChIKeyZDSMFTGXFYUVRI-UHFFFAOYSA-N
XLogP24.71
TPSA479.63 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002380.69
LogP ≤ 524.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-Methylbenzoyl)-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridyl]oxy]benzoic acid
CID 49772987
2-[(4-Methylbenzoyl)-[2-oxo-2-(tetrahydropyran-4-ylmethylamino)ethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridyl]oxy]benzoic acid
CID 49772992
Amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
CID 157279522
Bis(4-fluoro-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[[5-pyridin-2-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid);methyl 4-fluoro-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
CID 157330561
2-[[(E)-3-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enoyl]amino]benzoic acid;2-[[(E)-3-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]prop-2-enoyl]amino]benzoic acid;2-[[(E)-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoyl]amino]benzoic acid;2-[[(E)-3-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid;2-[[(E)-3-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid;2-[[(E)-3-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid;2-[[(E)-3-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-enoyl]amino]benzoic acid
CID 157423600
2-[[2-(2,4-difluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;1-[2-(2,4-difluorophenyl)-6-oxo-1H-pyridin-3-yl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;methyl 2-[[2-(2,4-difluorophenyl)-1-oxidopyridin-1-ium-3-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-(2,4-difluorophenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 157445513
2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluoro-2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluoro-2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate;methyl 5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluoro-2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]benzoate;methyl 4-fluoro-5-hydroxy-2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate
CID 157870208
Amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[[ethoxycarbonyl(methyl)amino]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid
CID 158060810
2-chloro-5-[2-(triazol-2-yl)ethyl]-3-(trifluoromethyl)pyridine;2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[2-(triazol-2-yl)ethyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[[(2S)-butan-2-yl]amino]-5-hydroxybenzoate;methyl 2-[[(2S)-butan-2-yl]amino]-5-[[5-[2-(triazol-2-yl)ethyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[2-(triazol-2-yl)ethyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 158260635
2-[1,3-Bis(prop-2-enoxy)propan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;2-[1,3-dipropoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-bis(prop-2-enoxy)propan-2-ylamino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[1,3-bis(prop-2-enoxy)propan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-(1,3-dihydroxypropan-2-ylamino)-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 158362730
Amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[[5-[(propan-2-ylcarbamoylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 158405511
4-Fluoro-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[[5-[(1-oxidopyridin-1-ium-3-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 4-fluoro-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[[5-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 158612334

Frequently Asked Questions

What is the IUPAC name of amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The IUPAC name of amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate (CID 159560776) is amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate.
What is the SMILES notation for amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The canonical SMILES for amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate is CC1CCC(C(=O)N(CC(=O)N2CCCC2)c2ccc(Oc3ncccc3C(F)(F)F)cc2C(=O)O)CC1.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(CC(=O)O)C(=O)C1CCC(C)CC1.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(CC(=O)OC(C)(C)C)C(=O)C1CCC(C)CC1.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(Cl)[N-]N.COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1NCC(=O)OC(C)(C)C.
What is the InChIKey of amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The InChIKey is ZDSMFTGXFYUVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N2O6.C27H30F3N3O5.C24H25F3N2O6.C20H21F3N2O5.C14H11ClF3N4O3/c1-17-8-10-18(11-9-17)25(35)33(16-23(34)39-27(2,3)4)22-13-12-19(15-20(22)26(36)37-5)38-24-21(28(29,30)31)7-6-14-32-24;1-17-6-8-18(9-7-17)25(35)33(16-23(34)32-13-2-3-14-32)22-11-10-19(15-20(22)26(36)37)38-24-21(27(28,29)30)5-4-12-31-24;1-14-5-7-15(8-6-14)22(32)29(13-20(30)31)19-10-9-16(12-17(19)23(33)34-2)35-21-18(24(25,26)27)4-3-11-28-21;1-19(2,3)30-16(26)11-25-15-8-7-12(10-13(15)18(27)28-4)29-17-14(20(21,22)23)6-5-9-24-17;1-24-13(23)9-7-8(4-5-11(9)22(15)21-19)25-12-10(14(16,17)18)3-2-6-20-12/h6-7,12-15,17-18H,8-11,16H2,1-5H3;4-5,10-12,15,17-18H,2-3,6-9,13-14,16H2,1H3,(H,36,37);3-4,9-12,14-15H,5-8,13H2,1-2H3,(H,30,31);5-10,25H,11H2,1-4H3;2-7H,19H2,1H3/q;;;;-1.
What are the key properties of amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate has a molecular weight of 2380.69 g/mol, XLogP of 24.71, 32 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate is sourced from PubChem (CID 159560776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).