1-[(4-phenylphenyl)methyl]azepan-2-one

C19H21NO — CID 141141675

IUPAC1-[(4-phenylphenyl)methyl]azepan-2-one
SMILESO=C1CCCCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c21-19-9-5-2-6-14-20(19)15-16-10-12-18(13-11-16)17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2
InChIKeyJBALMKBSJKVXEA-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.26
Rot. Bonds3

About 1-[(4-phenylphenyl)methyl]azepan-2-one

1-[(4-phenylphenyl)methyl]azepan-2-one (PubChem CID 141141675) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]azepan-2-one.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]azepan-2-one
PubChem CID141141675
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-[(4-phenylphenyl)methyl]azepan-2-one
SMILESO=C1CCCCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c21-19-9-5-2-6-14-20(19)15-16-10-12-18(13-11-16)17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2
InChIKeyJBALMKBSJKVXEA-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
15,24-dibenzyl-8,15,24,31-tetrazatricyclo[31.2.2.23,6]nonatriaconta-1(35),3(39),4,6(38),33,36-hexaene-14,25-dione
CID 162657522
1-benzylpyrrolidin-2-one;methyl formate
CID 143754063
1-[(4-pyrrolo[1,2-a]pyrimidin-4-ylphenyl)methyl]azocan-2-one
CID 156733650
1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one
CID 58020328
1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088
1-[(2-chloro-4-pyridinyl)methyl]azocan-2-one
CID 62471320
2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888287
1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 146669613
1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 95590635
2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoic acid
CID 106698788

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]azepan-2-one?
The IUPAC name of 1-[(4-phenylphenyl)methyl]azepan-2-one (CID 141141675) is 1-[(4-phenylphenyl)methyl]azepan-2-one.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]azepan-2-one?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]azepan-2-one is O=C1CCCCCN1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]azepan-2-one?
The InChIKey is JBALMKBSJKVXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19-9-5-2-6-14-20(19)15-16-10-12-18(13-11-16)17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2.
What are the key properties of 1-[(4-phenylphenyl)methyl]azepan-2-one?
1-[(4-phenylphenyl)methyl]azepan-2-one has a molecular weight of 279.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]azepan-2-one is sourced from PubChem (CID 141141675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).