1-[3-(4-aminoanilino)phenyl]ethanone

C14H14N2O — CID 82287829

IUPAC1-[3-(4-aminoanilino)phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(N)cc2)c1
InChIInChI=1S/C14H14N2O/c1-10(17)11-3-2-4-14(9-11)16-13-7-5-12(15)6-8-13/h2-9,16H,15H2,1H3
InChIKeyFKYMCIIJSRYWBV-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.21
Rot. Bonds3

About 1-[3-(4-aminoanilino)phenyl]ethanone

1-[3-(4-aminoanilino)phenyl]ethanone (PubChem CID 82287829) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[3-(4-aminoanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-aminoanilino)phenyl]ethanone
PubChem CID82287829
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[3-(4-aminoanilino)phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(N)cc2)c1
InChIInChI=1S/C14H14N2O/c1-10(17)11-3-2-4-14(9-11)16-13-7-5-12(15)6-8-13/h2-9,16H,15H2,1H3
InChIKeyFKYMCIIJSRYWBV-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-acetylanilino)benzoic acid
CID 11184397
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
5-(3-acetylanilino)-2-methylbenzoic acid
CID 155290240
1-[3-[[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547545
N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
CID 112988131
1-[3-[(5-amino-3-bromo-2-pyridinyl)amino]phenyl]ethanone
CID 93208856
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
1-[3-[(3-amino-5-chloro-2-pyridinyl)amino]phenyl]ethanone
CID 82059562
N-[4-(3-acetylanilino)phenyl]furan-2-carboxamide
CID 112988117
N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide
CID 112988151
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
1-[3-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547424

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminoanilino)phenyl]ethanone?
The IUPAC name of 1-[3-(4-aminoanilino)phenyl]ethanone (CID 82287829) is 1-[3-(4-aminoanilino)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-aminoanilino)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-aminoanilino)phenyl]ethanone is CC(=O)c1cccc(Nc2ccc(N)cc2)c1.
What is the InChIKey of 1-[3-(4-aminoanilino)phenyl]ethanone?
The InChIKey is FKYMCIIJSRYWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10(17)11-3-2-4-14(9-11)16-13-7-5-12(15)6-8-13/h2-9,16H,15H2,1H3.
What are the key properties of 1-[3-(4-aminoanilino)phenyl]ethanone?
1-[3-(4-aminoanilino)phenyl]ethanone has a molecular weight of 226.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminoanilino)phenyl]ethanone is sourced from PubChem (CID 82287829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).