2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C16H13ClF2N2O — CID 87262839

IUPAC2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cc2c(nc1Cl)CCC2
InChIInChI=1S/C16H13ClF2N2O/c17-15-11(7-10-2-1-3-14(10)21-15)16(22)20-8-9-4-5-12(18)13(19)6-9/h4-7H,1-3,8H2,(H,20,22)
InChIKeyUSVZFKPCRHXYOQ-UHFFFAOYSA-N
MW322.74 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 87262839) has the molecular formula C16H13ClF2N2O and a molecular weight of 322.74 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID87262839
Molecular FormulaC16H13ClF2N2O
Molecular Weight322.74 g/mol
Exact Mass322.07
IUPAC Name2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cc2c(nc1Cl)CCC2
InChIInChI=1S/C16H13ClF2N2O/c17-15-11(7-10-2-1-3-14(10)21-15)16(22)20-8-9-4-5-12(18)13(19)6-9/h4-7H,1-3,8H2,(H,20,22)
InChIKeyUSVZFKPCRHXYOQ-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 86669516
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide
CID 110299117
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
CID 103612091
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72862412
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
CID 140591693
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 87262839) is 2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1cc2c(nc1Cl)CCC2.
What is the InChIKey of 2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is USVZFKPCRHXYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O/c17-15-11(7-10-2-1-3-14(10)21-15)16(22)20-8-9-4-5-12(18)13(19)6-9/h4-7H,1-3,8H2,(H,20,22).
What are the key properties of 2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 322.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 87262839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).