N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide

C115H102ClF15N26O15 — CID 159384555

IUPACN-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C)c(C(F)(F)F)c3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)cc2)ncn1.CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC(C)=O)ncn4)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C27H30F3N7O3.C24H20F3N7O3.C22H19F3N4O3.C21H16ClF3N4O3.C21H17F3N4O3/c1-3-36-10-12-37(13-11-36)16-19-4-5-21(14-23(19)27(28,29)30)35-26(39)34-20-6-8-22(9-7-20)40-25-15-24(31-17-32-25)33-18(2)38;1-14-11-34(13-30-14)19-8-16(24(25,26)27)7-18(9-19)33-23(36)32-17-3-5-20(6-4-17)37-22-10-21(28-12-29-22)31-15(2)35;1-13-3-4-15(9-18(13)22(23,24)25)10-20(31)29-16-5-7-17(8-6-16)32-21-11-19(26-12-27-21)28-14(2)30;1-12(30)28-18-10-20(27-11-26-18)32-15-5-3-14(4-6-15)29-19(31)9-13-2-7-17(22)16(8-13)21(23,24)25;1-13(29)27-18-11-20(26-12-25-18)31-16-8-6-15(7-9-16)28-19(30)10-14-4-2-3-5-17(14)21(22,23)24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H2,34,35,39)(H,31,32,33,38);3-13H,1-2H3,(H2,32,33,36)(H,28,29,31,35);3-9,11-12H,10H2,1-2H3,(H,29,31)(H,26,27,28,30);2-8,10-11H,9H2,1H3,(H,29,31)(H,26,27,28,30);2-9,11-12H,10H2,1H3,(H,28,30)(H,25,26,27,29)
InChIKeyLLIHLYVOWJODAP-UHFFFAOYSA-N
MW2408.67 g/mol
LogP24.66
Rot. Bonds32

About N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide

N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide (PubChem CID 159384555) has the molecular formula C115H102ClF15N26O15 and a molecular weight of 2408.67 g/mol. Its IUPAC name is N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide
PubChem CID159384555
Molecular FormulaC115H102ClF15N26O15
Molecular Weight2408.67 g/mol
Exact Mass2406.75
IUPAC NameN-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C)c(C(F)(F)F)c3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)cc2)ncn1.CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC(C)=O)ncn4)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C27H30F3N7O3.C24H20F3N7O3.C22H19F3N4O3.C21H16ClF3N4O3.C21H17F3N4O3/c1-3-36-10-12-37(13-11-36)16-19-4-5-21(14-23(19)27(28,29)30)35-26(39)34-20-6-8-22(9-7-20)40-25-15-24(31-17-32-25)33-18(2)38;1-14-11-34(13-30-14)19-8-16(24(25,26)27)7-18(9-19)33-23(36)32-17-3-5-20(6-4-17)37-22-10-21(28-12-29-22)31-15(2)35;1-13-3-4-15(9-18(13)22(23,24)25)10-20(31)29-16-5-7-17(8-6-16)32-21-11-19(26-12-27-21)28-14(2)30;1-12(30)28-18-10-20(27-11-26-18)32-15-5-3-14(4-6-15)29-19(31)9-13-2-7-17(22)16(8-13)21(23,24)25;1-13(29)27-18-11-20(26-12-25-18)31-16-8-6-15(7-9-16)28-19(30)10-14-4-2-3-5-17(14)21(22,23)24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H2,34,35,39)(H,31,32,33,38);3-13H,1-2H3,(H2,32,33,36)(H,28,29,31,35);3-9,11-12H,10H2,1-2H3,(H,29,31)(H,26,27,28,30);2-8,10-11H,9H2,1H3,(H,29,31)(H,26,27,28,30);2-9,11-12H,10H2,1H3,(H,28,30)(H,25,26,27,29)
InChIKeyLLIHLYVOWJODAP-UHFFFAOYSA-N
XLogP24.66
TPSA514.41 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002408.67
LogP ≤ 524.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Analyze N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide with MolForge

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Related Compounds

4-chloro-N-[3-fluoro-4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[3-fluoro-4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;N-[2,3-difluoro-4-[3-(6-methyl-3-pyridinyl)quinoxalin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 89719630
4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-[3-(4-methylimidazol-1-yl)quinoxalin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89723245
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide
CID 157050583
2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;5-(isoquinolin-1-ylamino)-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide;N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 157305937
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide;2-[4-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;2-[4-[6-(2-aminoethylamino)pyrimidin-4-yl]oxyphenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[2-[[6-[4-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]anilino]pyrimidin-4-yl]amino]ethyl]propanamide;N-[2-[[6-[4-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]anilino]pyrimidin-4-yl]amino]ethyl]prop-2-enamide
CID 160149442
N-[4-[(6-acetamidopyrimidin-4-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3-chlorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-difluorophenyl)acetamide;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide
CID 160207218
1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-(benzylamino)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;2-(2,4-difluorophenyl)-N-[4-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]oxyphenyl]acetamide;1-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide
CID 160250017
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoroanilino]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 160819179
N-[5-(5-acetyl-2-fluorophenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxy-4-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chloro-2-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 161003895
N-[4-chloro-3-[[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]pyridine-3-carboxamide;2-chloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;5-(2,2-dimethylpropanoylamino)-2-methyl-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide
CID 161012776
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161321698
4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 161426349

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide (CID 159384555) is N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C)c(C(F)(F)F)c3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)cc2)ncn1.CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC(C)=O)ncn4)cc3)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide?
The InChIKey is LLIHLYVOWJODAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N7O3.C24H20F3N7O3.C22H19F3N4O3.C21H16ClF3N4O3.C21H17F3N4O3/c1-3-36-10-12-37(13-11-36)16-19-4-5-21(14-23(19)27(28,29)30)35-26(39)34-20-6-8-22(9-7-20)40-25-15-24(31-17-32-25)33-18(2)38;1-14-11-34(13-30-14)19-8-16(24(25,26)27)7-18(9-19)33-23(36)32-17-3-5-20(6-4-17)37-22-10-21(28-12-29-22)31-15(2)35;1-13-3-4-15(9-18(13)22(23,24)25)10-20(31)29-16-5-7-17(8-6-16)32-21-11-19(26-12-27-21)28-14(2)30;1-12(30)28-18-10-20(27-11-26-18)32-15-5-3-14(4-6-15)29-19(31)9-13-2-7-17(22)16(8-13)21(23,24)25;1-13(29)27-18-11-20(26-12-25-18)31-16-8-6-15(7-9-16)28-19(30)10-14-4-2-3-5-17(14)21(22,23)24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H2,34,35,39)(H,31,32,33,38);3-13H,1-2H3,(H2,32,33,36)(H,28,29,31,35);3-9,11-12H,10H2,1-2H3,(H,29,31)(H,26,27,28,30);2-8,10-11H,9H2,1H3,(H,29,31)(H,26,27,28,30);2-9,11-12H,10H2,1H3,(H,28,30)(H,25,26,27,29).
What are the key properties of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide?
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide has a molecular weight of 2408.67 g/mol, XLogP of 24.66, 32 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide;N-[6-[4-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide;N-[6-[4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 159384555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).