(2S)-2-(4-methylanilino)-1,2-diphenylethanone

C21H19NO — CID 36689295

IUPAC(2S)-2-(4-methylanilino)-1,2-diphenylethanone
SMILESCc1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-16-12-14-19(15-13-16)22-20(17-8-4-2-5-9-17)21(23)18-10-6-3-7-11-18/h2-15,20,22H,1H3/t20-/m0/s1
InChIKeyOKDKHOBYMXHNMN-FQEVSTJZSA-N
MW301.39 g/mol
LogP5.03
Rot. Bonds5

About (2S)-2-(4-methylanilino)-1,2-diphenylethanone

(2S)-2-(4-methylanilino)-1,2-diphenylethanone (PubChem CID 36689295) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-(4-methylanilino)-1,2-diphenylethanone.

Molecular Properties

Compound Name(2S)-2-(4-methylanilino)-1,2-diphenylethanone
PubChem CID36689295
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name(2S)-2-(4-methylanilino)-1,2-diphenylethanone
SMILESCc1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-16-12-14-19(15-13-16)22-20(17-8-4-2-5-9-17)21(23)18-10-6-3-7-11-18/h2-15,20,22H,1H3/t20-/m0/s1
InChIKeyOKDKHOBYMXHNMN-FQEVSTJZSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-methylanilino)-1,2-diphenylethanone 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

(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
CID 134071873
2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
CID 101360122
4-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]benzoic acid
CID 175404529
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
2-ethoxy-2-(4-methylanilino)-1-phenylethanone
CID 13351406
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid
CID 54890022
2-(diphenylphosphorylamino)-1,2-diphenylethanone
CID 86012008
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
CID 24624066

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylanilino)-1,2-diphenylethanone?
The IUPAC name of (2S)-2-(4-methylanilino)-1,2-diphenylethanone (CID 36689295) is (2S)-2-(4-methylanilino)-1,2-diphenylethanone.
What is the SMILES notation for (2S)-2-(4-methylanilino)-1,2-diphenylethanone?
The canonical SMILES for (2S)-2-(4-methylanilino)-1,2-diphenylethanone is Cc1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-methylanilino)-1,2-diphenylethanone?
The InChIKey is OKDKHOBYMXHNMN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19NO/c1-16-12-14-19(15-13-16)22-20(17-8-4-2-5-9-17)21(23)18-10-6-3-7-11-18/h2-15,20,22H,1H3/t20-/m0/s1.
What are the key properties of (2S)-2-(4-methylanilino)-1,2-diphenylethanone?
(2S)-2-(4-methylanilino)-1,2-diphenylethanone has a molecular weight of 301.39 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylanilino)-1,2-diphenylethanone is sourced from PubChem (CID 36689295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).