(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone

C20H22FNO2 — CID 121146218

IUPAC(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCCC(c3ccccc3)C2)cc1F
InChIInChI=1S/C20H22FNO2/c1-24-19-11-10-16(13-18(19)21)20(23)22-12-6-5-9-17(14-22)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,17H,5-6,9,12,14H2,1H3
InChIKeySLUMBQPCHVZBNA-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.24
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone

(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone (PubChem CID 121146218) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
PubChem CID121146218
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCCC(c3ccccc3)C2)cc1F
InChIInChI=1S/C20H22FNO2/c1-24-19-11-10-16(13-18(19)21)20(23)22-12-6-5-9-17(14-22)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,17H,5-6,9,12,14H2,1H3
InChIKeySLUMBQPCHVZBNA-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone (CID 121146218) is (3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone is COc1ccc(C(=O)N2CCCCC(c3ccccc3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone?
The InChIKey is SLUMBQPCHVZBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-24-19-11-10-16(13-18(19)21)20(23)22-12-6-5-9-17(14-22)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,17H,5-6,9,12,14H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone has a molecular weight of 327.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone is sourced from PubChem (CID 121146218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).