2-anilino-1-phenylpropan-1-one

C15H15NO — CID 577481

IUPAC2-anilino-1-phenylpropan-1-one
SMILESCC(Nc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H15NO/c1-12(16-14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2-12,16H,1H3
InChIKeyJXJWKJVLYQJYTN-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.37
Rot. Bonds4

About 2-anilino-1-phenylpropan-1-one

2-anilino-1-phenylpropan-1-one (PubChem CID 577481) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-anilino-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-anilino-1-phenylpropan-1-one
PubChem CID577481
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-anilino-1-phenylpropan-1-one
SMILESCC(Nc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H15NO/c1-12(16-14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2-12,16H,1H3
InChIKeyJXJWKJVLYQJYTN-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-1-phenylpropan-1-one
CID 14026529
2-anilinopropanoic acid;hydrochloride
CID 19096756
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
(2S)-2-anilinopropanethioic S-acid
CID 87999378
(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one
CID 11056163
methyl 2-anilinopropanoate
CID 3417283
(2S)-2-(4-benzoylanilino)propanoic acid
CID 54396122
2-(4-benzoylanilino)propanoic acid
CID 23202897
2-anilino-1-pyridin-2-ylpropan-1-one
CID 160887436
(2S)-2-anilino-1-thiophen-2-ylpropan-1-one
CID 155933844
(2S)-2-anilino-1,2-diphenylethanone
CID 36689702

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenylpropan-1-one?
The IUPAC name of 2-anilino-1-phenylpropan-1-one (CID 577481) is 2-anilino-1-phenylpropan-1-one.
What is the SMILES notation for 2-anilino-1-phenylpropan-1-one?
The canonical SMILES for 2-anilino-1-phenylpropan-1-one is CC(Nc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-anilino-1-phenylpropan-1-one?
The InChIKey is JXJWKJVLYQJYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-12(16-14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2-12,16H,1H3.
What are the key properties of 2-anilino-1-phenylpropan-1-one?
2-anilino-1-phenylpropan-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenylpropan-1-one is sourced from PubChem (CID 577481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).