3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide

C18H25ClN2O — CID 121146751

IUPAC3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O/c19-16-10-8-14(9-11-16)15-5-3-4-12-21(13-15)18(22)20-17-6-1-2-7-17/h8-11,15,17H,1-7,12-13H2,(H,20,22)
InChIKeyGEEUIDWIVVBQEE-UHFFFAOYSA-N
MW320.86 g/mol
LogP4.56
Rot. Bonds2

About 3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide

3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide (PubChem CID 121146751) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide
PubChem CID121146751
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O/c19-16-10-8-14(9-11-16)15-5-3-4-12-21(13-15)18(22)20-17-6-1-2-7-17/h8-11,15,17H,1-7,12-13H2,(H,20,22)
InChIKeyGEEUIDWIVVBQEE-UHFFFAOYSA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
CID 126433474
(3S)-3-(4-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 99876758
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
3-(4-chlorophenyl)-N-pentan-3-ylazepane-1-carboxamide
CID 121146730
(3R)-N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)azepane-1-carboxamide
CID 99979735
1-[4-[3-(4-chlorophenyl)azepane-1-carbonyl]piperidin-1-yl]ethanone
CID 121146440
1-[3-(4-chlorophenyl)azepan-1-yl]-2-cyclohexylethanone
CID 121146455
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-dichlorophenyl)methanone
CID 121146499
3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 167793829
(3S)-3-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)azepane-1-carboxamide
CID 99876754
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
[3-(4-chlorophenyl)azepan-1-yl]-(3,5-dimethylphenyl)methanone
CID 121146472

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide (CID 121146751) is 3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide is O=C(NC1CCCC1)N1CCCCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide?
The InChIKey is GEEUIDWIVVBQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c19-16-10-8-14(9-11-16)15-5-3-4-12-21(13-15)18(22)20-17-6-1-2-7-17/h8-11,15,17H,1-7,12-13H2,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide?
3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide has a molecular weight of 320.86 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide is sourced from PubChem (CID 121146751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).