2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one

C17H15F2NO — CID 105409234

IUPAC2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one
SMILESO=C1c2ccccc2CCCN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H15F2NO/c18-14-8-12(9-15(19)10-14)11-20-7-3-5-13-4-1-2-6-16(13)17(20)21/h1-2,4,6,8-10H,3,5,7,11H2
InChIKeyIKFGMJVQPBSQBF-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.55
Rot. Bonds2

About 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one

2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one (PubChem CID 105409234) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one
PubChem CID105409234
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one
SMILESO=C1c2ccccc2CCCN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H15F2NO/c18-14-8-12(9-15(19)10-14)11-20-7-3-5-13-4-1-2-6-16(13)17(20)21/h1-2,4,6,8-10H,3,5,7,11H2
InChIKeyIKFGMJVQPBSQBF-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3,5-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 105403525
2-[(3,5-dimethylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104501216
7-amino-2-[(3,5-difluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 105403399
2-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525320
1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one
CID 105403514
2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422912
2-(2-sulfanylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526917
2-[(2R)-2-aminopropyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525202
2-(3-bromopropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525155
2-(2,3-dihydroxypropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422849
4-(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)butanenitrile
CID 113422827
3-[(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)methyl]furan-2-carboxylic acid
CID 104525089

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one (CID 105409234) is 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one is O=C1c2ccccc2CCCN1Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The InChIKey is IKFGMJVQPBSQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c18-14-8-12(9-15(19)10-14)11-20-7-3-5-13-4-1-2-6-16(13)17(20)21/h1-2,4,6,8-10H,3,5,7,11H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one?
2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one has a molecular weight of 287.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one is sourced from PubChem (CID 105409234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).