(2S)-2-anilino-1,2-diphenylethanone

C20H17NO — CID 36689702

IUPAC(2S)-2-anilino-1,2-diphenylethanone
SMILESO=C(c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h1-15,19,21H/t19-/m0/s1
InChIKeySPWKVDHPFJFAAJ-IBGZPJMESA-N
MW287.36 g/mol
LogP4.72
Rot. Bonds5

About (2S)-2-anilino-1,2-diphenylethanone

(2S)-2-anilino-1,2-diphenylethanone (PubChem CID 36689702) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-2-anilino-1,2-diphenylethanone.

Molecular Properties

Compound Name(2S)-2-anilino-1,2-diphenylethanone
PubChem CID36689702
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name(2S)-2-anilino-1,2-diphenylethanone
SMILESO=C(c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h1-15,19,21H/t19-/m0/s1
InChIKeySPWKVDHPFJFAAJ-IBGZPJMESA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methylanilino)-1,2-diphenylethanone
CID 36689295
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
CID 134071873
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003
(2S)-2-anilino-2-phenylacetate
CID 6993805
4-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]benzoic acid
CID 175404529
2-anilino-2-phenylacetamide;ethane
CID 142824395
(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one
CID 11056163
2-(diphenylphosphorylamino)-1,2-diphenylethanone
CID 86012008
2-anilino-1-phenylpropan-1-one
CID 577481
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-1,2-diphenylethanone?
The IUPAC name of (2S)-2-anilino-1,2-diphenylethanone (CID 36689702) is (2S)-2-anilino-1,2-diphenylethanone.
What is the SMILES notation for (2S)-2-anilino-1,2-diphenylethanone?
The canonical SMILES for (2S)-2-anilino-1,2-diphenylethanone is O=C(c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-anilino-1,2-diphenylethanone?
The InChIKey is SPWKVDHPFJFAAJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h1-15,19,21H/t19-/m0/s1.
What are the key properties of (2S)-2-anilino-1,2-diphenylethanone?
(2S)-2-anilino-1,2-diphenylethanone has a molecular weight of 287.36 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-1,2-diphenylethanone is sourced from PubChem (CID 36689702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).