N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C15H12ClFN2O2 — CID 56921801

IUPACN-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C15H12ClFN2O2/c16-11-7-9(4-5-12(11)17)18-14(20)10-6-8-2-1-3-13(8)19-15(10)21/h4-7H,1-3H2,(H,18,20)(H,19,21)
InChIKeyGBYHGPZKNDOMMH-UHFFFAOYSA-N
MW306.72 g/mol
LogP2.91
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 56921801) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID56921801
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C15H12ClFN2O2/c16-11-7-9(4-5-12(11)17)18-14(20)10-6-8-2-1-3-13(8)19-15(10)21/h4-7H,1-3H2,(H,18,20)(H,19,21)
InChIKeyGBYHGPZKNDOMMH-UHFFFAOYSA-N
XLogP2.91
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36764947
N-(2,4-dichlorophenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66495696
N-(5-chloro-2-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495293
N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498018
(6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95196424
N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110859395
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766208
5-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690723
2-[[4-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 119220455
N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide
CID 71325211

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 56921801) is N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is GBYHGPZKNDOMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c16-11-7-9(4-5-12(11)17)18-14(20)10-6-8-2-1-3-13(8)19-15(10)21/h4-7H,1-3H2,(H,18,20)(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 306.72 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 56921801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).