4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one

C18H19ClN2O2 — CID 121146702

IUPAC4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19ClN2O2/c19-16-6-4-13(5-7-16)15-3-1-2-10-21(12-15)18(23)14-8-9-20-17(22)11-14/h4-9,11,15H,1-3,10,12H2,(H,20,22)
InChIKeySTTGMLJJYJBUNV-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.44
Rot. Bonds2

About 4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one

4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one (PubChem CID 121146702) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
PubChem CID121146702
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19ClN2O2/c19-16-6-4-13(5-7-16)15-3-1-2-10-21(12-15)18(23)14-8-9-20-17(22)11-14/h4-9,11,15H,1-3,10,12H2,(H,20,22)
InChIKeySTTGMLJJYJBUNV-UHFFFAOYSA-N
XLogP3.44
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121146641
[3-(4-chlorophenyl)azepan-1-yl]-(3,5-dimethylphenyl)methanone
CID 121146472
(3-bromophenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146495
1,3-benzothiazol-6-yl-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146423
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 103764742
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-dichlorophenyl)methanone
CID 121146499
[3-(4-chlorophenyl)azepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121146514
4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
CID 121146340
[3-(4-chlorophenyl)azepan-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 121146689
3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide
CID 121146751
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-difluorophenyl)methanone
CID 121146583

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one (CID 121146702) is 4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCCCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is STTGMLJJYJBUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-16-6-4-13(5-7-16)15-3-1-2-10-21(12-15)18(23)14-8-9-20-17(22)11-14/h4-9,11,15H,1-3,10,12H2,(H,20,22).
What are the key properties of 4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one?
4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 330.81 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 121146702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).