N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide

C97H82Cl4F8N20O9S — CID 158773151

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCSCC1
InChIInChI=1S/C25H22ClF2N5O2.C24H20ClF2N5O3.C24H20ClF2N5O2S.C24H20ClF2N5O2/c26-16-5-9-22(30-14-16)32-25(35)19-13-17(27)6-8-21(19)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33;2*25-15-2-6-21(29-13-15)31-24(34)18-12-16(26)3-5-20(18)30-23(33)17-4-1-14(11-19(17)27)22(28)32-7-9-35-10-8-32;25-15-4-8-21(29-13-15)31-24(34)18-12-16(26)5-7-20(18)30-23(33)17-6-3-14(11-19(17)27)22(28)32-9-1-2-10-32/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);2*1-6,11-13,28H,7-10H2,(H,30,33)(H,29,31,34);3-8,11-13,28H,1-2,9-10H2,(H,30,33)(H,29,31,34)/b29-23-;3*28-22-
InChIKeyIQDAPUPBUSTZSB-JZCKXPISSA-N
MW1997.72 g/mol
LogP19.34
Rot. Bonds20

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide (PubChem CID 158773151) has the molecular formula C97H82Cl4F8N20O9S and a molecular weight of 1997.72 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
PubChem CID158773151
Molecular FormulaC97H82Cl4F8N20O9S
Molecular Weight1997.72 g/mol
Exact Mass1994.49
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCSCC1
InChIInChI=1S/C25H22ClF2N5O2.C24H20ClF2N5O3.C24H20ClF2N5O2S.C24H20ClF2N5O2/c26-16-5-9-22(30-14-16)32-25(35)19-13-17(27)6-8-21(19)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33;2*25-15-2-6-21(29-13-15)31-24(34)18-12-16(26)3-5-20(18)30-23(33)17-4-1-14(11-19(17)27)22(28)32-7-9-35-10-8-32;25-15-4-8-21(29-13-15)31-24(34)18-12-16(26)5-7-20(18)30-23(33)17-6-3-14(11-19(17)27)22(28)32-9-1-2-10-32/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);2*1-6,11-13,28H,7-10H2,(H,30,33)(H,29,31,34);3-8,11-13,28H,1-2,9-10H2,(H,30,33)(H,29,31,34)/b29-23-;3*28-22-
InChIKeyIQDAPUPBUSTZSB-JZCKXPISSA-N
XLogP19.34
TPSA401.95 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001997.72
LogP ≤ 519.34
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide with MolForge

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Related Compounds

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]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide
CID 18727955
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-(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
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);4-morpholin-4-ylaniline
CID 157629303
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-(2-methyl-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);2-methyl-4-morpholin-4-ylaniline
CID 158653323
(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N-methyl-2-[[2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 158866719
N-(5-chloro-2-pyridinyl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1-fluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrazin-2-ylquinoline-8-carboxamide
CID 159183013
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2-fluoro-4-morpholin-4-ylaniline;bis(2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide);methane
CID 159459261
6-(4-acetylpiperazin-1-yl)-N-(3-benzamido-4-chlorophenyl)pyridine-3-carboxamide;6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(3-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[(2-morpholin-4-ylbenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159763280
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(2-methyl-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);2-methyl-4-morpholin-4-ylaniline
CID 159990136

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide (CID 158773151) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCSCC1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
The InChIKey is IQDAPUPBUSTZSB-JZCKXPISSA-N. The full InChI is InChI=1S/C25H22ClF2N5O2.C24H20ClF2N5O3.C24H20ClF2N5O2S.C24H20ClF2N5O2/c26-16-5-9-22(30-14-16)32-25(35)19-13-17(27)6-8-21(19)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33;2*25-15-2-6-21(29-13-15)31-24(34)18-12-16(26)3-5-20(18)30-23(33)17-4-1-14(11-19(17)27)22(28)32-7-9-35-10-8-32;25-15-4-8-21(29-13-15)31-24(34)18-12-16(26)5-7-20(18)30-23(33)17-6-3-14(11-19(17)27)22(28)32-9-1-2-10-32/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);2*1-6,11-13,28H,7-10H2,(H,30,33)(H,29,31,34);3-8,11-13,28H,1-2,9-10H2,(H,30,33)(H,29,31,34)/b29-23-;3*28-22-.
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide has a molecular weight of 1997.72 g/mol, XLogP of 19.34, 20 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide is sourced from PubChem (CID 158773151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).