2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide

C93H77Cl4F5N20O8S — CID 158238596

IUPAC2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCSCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1
InChIInChI=1S/C24H21ClFN5O2S.C23H18ClF2N5O2.2C23H19ClFN5O2/c25-17-5-8-21(28-14-17)30-24(33)19-13-18(26)6-7-20(19)29-23(32)16-3-1-15(2-4-16)22(27)31-9-11-34-12-10-31;24-14-3-7-20(28-12-14)30-23(33)17-11-15(25)4-6-19(17)29-22(32)16-5-2-13(10-18(16)26)21(27)31-8-1-9-31;24-16-6-9-20(27-13-16)29-23(32)18-12-17(25)7-8-19(18)28-22(31)15-4-2-14(3-5-15)21(26)30-10-1-11-30;24-15-7-9-20(27-13-15)29-23(32)17-4-1-2-5-19(17)28-22(31)16-8-6-14(12-18(16)25)21(26)30-10-3-11-30/h1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);2-7,10-12,27H,1,8-9H2,(H,29,32)(H,28,30,33);2-9,12-13,26H,1,10-11H2,(H,28,31)(H,27,29,32);1-2,4-9,12-13,26H,3,10-11H2,(H,28,31)(H,27,29,32)/b27-22-;27-21-;2*26-21-
InChIKeyGFGRMUCBOSGLAN-WWGVAIRXSA-N
MW1871.64 g/mol
LogP18.12
Rot. Bonds20

About 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide

2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 158238596) has the molecular formula C93H77Cl4F5N20O8S and a molecular weight of 1871.64 g/mol. Its IUPAC name is 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide
PubChem CID158238596
Molecular FormulaC93H77Cl4F5N20O8S
Molecular Weight1871.64 g/mol
Exact Mass1868.46
IUPAC Name2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCSCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1
InChIInChI=1S/C24H21ClFN5O2S.C23H18ClF2N5O2.2C23H19ClFN5O2/c25-17-5-8-21(28-14-17)30-24(33)19-13-18(26)6-7-20(19)29-23(32)16-3-1-15(2-4-16)22(27)31-9-11-34-12-10-31;24-14-3-7-20(28-12-14)30-23(33)17-11-15(25)4-6-19(17)29-22(32)16-5-2-13(10-18(16)26)21(27)31-8-1-9-31;24-16-6-9-20(27-13-16)29-23(32)18-12-17(25)7-8-19(18)28-22(31)15-4-2-14(3-5-15)21(26)30-10-1-11-30;24-15-7-9-20(27-13-15)29-23(32)17-4-1-2-5-19(17)28-22(31)16-8-6-14(12-18(16)25)21(26)30-10-3-11-30/h1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);2-7,10-12,27H,1,8-9H2,(H,29,32)(H,28,30,33);2-9,12-13,26H,1,10-11H2,(H,28,31)(H,27,29,32);1-2,4-9,12-13,26H,3,10-11H2,(H,28,31)(H,27,29,32)/b27-22-;27-21-;2*26-21-
InChIKeyGFGRMUCBOSGLAN-WWGVAIRXSA-N
XLogP18.12
TPSA392.72 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001871.64
LogP ≤ 518.12
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide with MolForge

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Related Compounds

N-(5-chloropyridin-2-yl)-2-(4-(imino(thiomorpholino)methyl)benzamido)benzamide
CID 9826433
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(1,1-dioxo-1,4-thiazinane-4-carboximidoyl)-2-fluorobenzamide
CID 9806997
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
CID 9871184
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(1,1-dioxo-1,4-thiazinane-4-carboximidoyl)-2-fluorobenzamide
CID 9937369
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
CID 18727964
N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 18728178
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide
CID 59833350
N-(5-chloro-2-pyridinyl)-4-[[[4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]carbamoyl]-3-fluorobenzenecarboximidoyl]-methylamino]methyl]-2-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]benzamide
CID 142083604
6-amino-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-[2-(diethylamino)ethyl]-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 157595965
6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide);methane
CID 158320660
6-amino-N,N-dimethylpyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 158805901
bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide);bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide)
CID 90696699

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide (CID 158238596) is 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCSCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.
What is the InChIKey of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?
The InChIKey is GFGRMUCBOSGLAN-WWGVAIRXSA-N. The full InChI is InChI=1S/C24H21ClFN5O2S.C23H18ClF2N5O2.2C23H19ClFN5O2/c25-17-5-8-21(28-14-17)30-24(33)19-13-18(26)6-7-20(19)29-23(32)16-3-1-15(2-4-16)22(27)31-9-11-34-12-10-31;24-14-3-7-20(28-12-14)30-23(33)17-11-15(25)4-6-19(17)29-22(32)16-5-2-13(10-18(16)26)21(27)31-8-1-9-31;24-16-6-9-20(27-13-16)29-23(32)18-12-17(25)7-8-19(18)28-22(31)15-4-2-14(3-5-15)21(26)30-10-1-11-30;24-15-7-9-20(27-13-15)29-23(32)17-4-1-2-5-19(17)28-22(31)16-8-6-14(12-18(16)25)21(26)30-10-3-11-30/h1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);2-7,10-12,27H,1,8-9H2,(H,29,32)(H,28,30,33);2-9,12-13,26H,1,10-11H2,(H,28,31)(H,27,29,32);1-2,4-9,12-13,26H,3,10-11H2,(H,28,31)(H,27,29,32)/b27-22-;27-21-;2*26-21-.
What are the key properties of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?
2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 1871.64 g/mol, XLogP of 18.12, 20 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;4-(azetidine-1-carboximidoyl)-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 158238596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).