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

C17H22ClNO — CID 134016721

IUPACazepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone
SMILESO=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H22ClNO/c18-15-8-6-14(7-9-15)17(10-5-11-17)16(20)19-12-3-1-2-4-13-19/h6-9H,1-5,10-13H2
InChIKeyLRQNZYLUVYAHBZ-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.16
Rot. Bonds2

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

azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone (PubChem CID 134016721) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone
PubChem CID134016721
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Nameazepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone
SMILESO=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H22ClNO/c18-15-8-6-14(7-9-15)17(10-5-11-17)16(20)19-12-3-1-2-4-13-19/h6-9H,1-5,10-13H2
InChIKeyLRQNZYLUVYAHBZ-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 24684626
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
N~1~-[2-(1-Azepanyl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 2233784
[1-(4-Chlorophenyl)cyclopropyl]-(4-phenylpiperidin-1-yl)methanone
CID 11588129
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-3-(2-methylphenyl)pyrrolidine
CID 11609792
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpyrrolidin-1-yl)methanone
CID 11659861
[1-(4-Chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 11667635
Azepan-1-yl-[1-(4-chlorophenyl)cyclopentyl]methanone
CID 11673919
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone
CID 11695794
1-[1-(4-Chlorophenyl)cyclopropanecarbonyl]piperidine
CID 60643392
[1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 66661845

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone?
The IUPAC name of azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone (CID 134016721) is azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone?
The canonical SMILES for azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone is O=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone?
The InChIKey is LRQNZYLUVYAHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-15-8-6-14(7-9-15)17(10-5-11-17)16(20)19-12-3-1-2-4-13-19/h6-9H,1-5,10-13H2.
What are the key properties of azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone?
azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone has a molecular weight of 291.82 g/mol, XLogP of 4.16, 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)cyclobutyl]methanone is sourced from PubChem (CID 134016721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).