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

C18H24ClNO — CID 11673919

IUPACazepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone
SMILESO=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H24ClNO/c19-16-9-7-15(8-10-16)18(11-3-4-12-18)17(21)20-13-5-1-2-6-14-20/h7-10H,1-6,11-14H2
InChIKeyICDFAJKFDRNCMF-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.55
Rot. Bonds2

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

azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone (PubChem CID 11673919) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone
PubChem CID11673919
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Nameazepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone
SMILESO=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H24ClNO/c19-16-9-7-15(8-10-16)18(11-3-4-12-18)17(21)20-13-5-1-2-6-14-20/h7-10H,1-6,11-14H2
InChIKeyICDFAJKFDRNCMF-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone?
The IUPAC name of azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone (CID 11673919) is azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone?
The canonical SMILES for azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone is O=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone?
The InChIKey is ICDFAJKFDRNCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c19-16-9-7-15(8-10-16)18(11-3-4-12-18)17(21)20-13-5-1-2-6-14-20/h7-10H,1-6,11-14H2.
What are the key properties of azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone?
azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone has a molecular weight of 305.85 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone is sourced from PubChem (CID 11673919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).