2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide

C94H66Cl9F15N20O12 — CID 160745581

IUPAC2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide
SMILESC/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1
InChIInChI=1S/C24H17Cl2F4N5O3.C24H19Cl2F4N5O3.C23H15Cl3F3N5O3.C23H15Cl2F4N5O3/c25-13-3-5-19(32-11-13)33-23(37)16-9-14(26)10-18(38-24(28,29)30)20(16)34-22(36)15-4-2-12(8-17(15)27)21(31)35-6-1-7-35;1-31-21(35(2)3)12-4-6-15(17(27)8-12)22(36)34-20-16(9-14(26)10-18(20)38-24(28,29)30)23(37)33-19-7-5-13(25)11-32-19;2*24-12-2-4-18(31-10-12)32-22(36)15-8-13(25)9-17(37-23(27,28)29)19(15)33-21(35)14-3-1-11(7-16(14)26)20(30)34-5-6-34/h2-5,8-11,31H,1,6-7H2,(H,34,36)(H,32,33,37);4-11H,1-3H3,(H,34,36)(H,32,33,37);2*1-4,7-10,30H,5-6H2,(H,33,35)(H,31,32,36)/b2*31-21-;2*30-20-
InChIKeyRWDNTRLWYCRHTP-CKWYJUCLSA-N
MW2271.74 g/mol
LogP23.49
Rot. Bonds24

About 2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide

2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide (PubChem CID 160745581) has the molecular formula C94H66Cl9F15N20O12 and a molecular weight of 2271.74 g/mol. Its IUPAC name is 2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide
PubChem CID160745581
Molecular FormulaC94H66Cl9F15N20O12
Molecular Weight2271.74 g/mol
Exact Mass2266.21
IUPAC Name2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide
SMILESC/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1
InChIInChI=1S/C24H17Cl2F4N5O3.C24H19Cl2F4N5O3.C23H15Cl3F3N5O3.C23H15Cl2F4N5O3/c25-13-3-5-19(32-11-13)33-23(37)16-9-14(26)10-18(38-24(28,29)30)20(16)34-22(36)15-4-2-12(8-17(15)27)21(31)35-6-1-7-35;1-31-21(35(2)3)12-4-6-15(17(27)8-12)22(36)34-20-16(9-14(26)10-18(20)38-24(28,29)30)23(37)33-19-7-5-13(25)11-32-19;2*24-12-2-4-18(31-10-12)32-22(36)15-8-13(25)9-17(37-23(27,28)29)19(15)33-21(35)14-3-1-11(7-16(14)26)20(30)34-5-6-34/h2-5,8-11,31H,1,6-7H2,(H,34,36)(H,32,33,37);4-11H,1-3H3,(H,34,36)(H,32,33,37);2*1-4,7-10,30H,5-6H2,(H,33,35)(H,31,32,36)/b2*31-21-;2*30-20-
InChIKeyRWDNTRLWYCRHTP-CKWYJUCLSA-N
XLogP23.49
TPSA417.69 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002271.74
LogP ≤ 523.49
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]-3-methoxybenzamide
CID 10229005
2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide
CID 18727586
2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide
CID 18727614
2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloropyridin-2-yl)-3-(trifluoromethoxy)benzamide
CID 18727615
2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloropyridin-2-yl)-3-(trifluoromethoxy)benzamide
CID 18727637
2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide
CID 18727640
2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloropyridin-2-yl)-3-(trifluoromethoxy)benzamide
CID 18727641
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-methoxybenzamide
CID 18727821
5-chloro-N-(5-chloropyridin-2-yl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide
CID 18727822
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methoxybenzamide
CID 18727823
5-chloro-N-(5-chloropyridin-2-yl)-2-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]-3-(trifluoromethoxy)benzamide
CID 20747467
2-[[4-[C-(azetidin-1-yl)-N-methylcarbonimidoyl]-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloropyridin-2-yl)-3-(trifluoromethoxy)benzamide
CID 58733712

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide?
The IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide (CID 160745581) is 2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide is C/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.
What is the InChIKey of 2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide?
The InChIKey is RWDNTRLWYCRHTP-CKWYJUCLSA-N. The full InChI is InChI=1S/C24H17Cl2F4N5O3.C24H19Cl2F4N5O3.C23H15Cl3F3N5O3.C23H15Cl2F4N5O3/c25-13-3-5-19(32-11-13)33-23(37)16-9-14(26)10-18(38-24(28,29)30)20(16)34-22(36)15-4-2-12(8-17(15)27)21(31)35-6-1-7-35;1-31-21(35(2)3)12-4-6-15(17(27)8-12)22(36)34-20-16(9-14(26)10-18(20)38-24(28,29)30)23(37)33-19-7-5-13(25)11-32-19;2*24-12-2-4-18(31-10-12)32-22(36)15-8-13(25)9-17(37-23(27,28)29)19(15)33-21(35)14-3-1-11(7-16(14)26)20(30)34-5-6-34/h2-5,8-11,31H,1,6-7H2,(H,34,36)(H,32,33,37);4-11H,1-3H3,(H,34,36)(H,32,33,37);2*1-4,7-10,30H,5-6H2,(H,33,35)(H,31,32,36)/b2*31-21-;2*30-20-.
What are the key properties of 2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide?
2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide has a molecular weight of 2271.74 g/mol, XLogP of 23.49, 24 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(azetidine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-chlorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)-2-fluorobenzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 160745581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).