[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone

C25H30ClNO2 — CID 121147027

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
SMILESCOc1ccc(C2CCCCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)cc1
InChIInChI=1S/C25H30ClNO2/c1-29-23-13-7-19(8-14-23)20-6-2-5-17-27(18-20)24(28)25(15-3-4-16-25)21-9-11-22(26)12-10-21/h7-14,20H,2-6,15-18H2,1H3
InChIKeyFBSAHHDFSUWFQF-UHFFFAOYSA-N
MW411.97 g/mol
LogP5.96
Rot. Bonds4

About [1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone

[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone (PubChem CID 121147027) has the molecular formula C25H30ClNO2 and a molecular weight of 411.97 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
PubChem CID121147027
Molecular FormulaC25H30ClNO2
Molecular Weight411.97 g/mol
Exact Mass411.20
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
SMILESCOc1ccc(C2CCCCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)cc1
InChIInChI=1S/C25H30ClNO2/c1-29-23-13-7-19(8-14-23)20-6-2-5-17-27(18-20)24(28)25(15-3-4-16-25)21-9-11-22(26)12-10-21/h7-14,20H,2-6,15-18H2,1H3
InChIKeyFBSAHHDFSUWFQF-UHFFFAOYSA-N
XLogP5.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.97
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone with MolForge

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Related Compounds

[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56701547
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
(5-chloro-2-methoxyphenyl)-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146976
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxamide
CID 56813691
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179
methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate
CID 112733543
3-chloro-1-[3-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 121146937

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone (CID 121147027) is [1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone is COc1ccc(C2CCCCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)cc1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone?
The InChIKey is FBSAHHDFSUWFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClNO2/c1-29-23-13-7-19(8-14-23)20-6-2-5-17-27(18-20)24(28)25(15-3-4-16-25)21-9-11-22(26)12-10-21/h7-14,20H,2-6,15-18H2,1H3.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone?
[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone has a molecular weight of 411.97 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone is sourced from PubChem (CID 121147027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).