2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone

C21H16ClNO2 — CID 110823607

IUPAC2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone
SMILESO=C(CNc1cccc(C(=O)c2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClNO2/c22-18-11-9-15(10-12-18)20(24)14-23-19-8-4-7-17(13-19)21(25)16-5-2-1-3-6-16/h1-13,23H,14H2
InChIKeyURURUPOMUZUEHK-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.87
Rot. Bonds6

About 2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone

2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone (PubChem CID 110823607) has the molecular formula C21H16ClNO2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone
PubChem CID110823607
Molecular FormulaC21H16ClNO2
Molecular Weight349.82 g/mol
Exact Mass349.09
IUPAC Name2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone
SMILESO=C(CNc1cccc(C(=O)c2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClNO2/c22-18-11-9-15(10-12-18)20(24)14-23-19-8-4-7-17(13-19)21(25)16-5-2-1-3-6-16/h1-13,23H,14H2
InChIKeyURURUPOMUZUEHK-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone 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

2-(3-benzoylanilino)-1-(4-nitrophenyl)ethanone
CID 110824996
2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110823946
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
2-anilino-1-(4-hydroxyphenyl)ethanone
CID 11379161
[3-[(2-fluorophenyl)methylamino]phenyl]-phenylmethanone
CID 110823801
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide
CID 90665331
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone
CID 82122507

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone (CID 110823607) is 2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone is O=C(CNc1cccc(C(=O)c2ccccc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone?
The InChIKey is URURUPOMUZUEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO2/c22-18-11-9-15(10-12-18)20(24)14-23-19-8-4-7-17(13-19)21(25)16-5-2-1-3-6-16/h1-13,23H,14H2.
What are the key properties of 2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone?
2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone has a molecular weight of 349.82 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 110823607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).