1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone

C16H16N2O2 — CID 82487575

IUPAC1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(C(C)=O)cc2N)cc1
InChIInChI=1S/C16H16N2O2/c1-10(19)12-3-6-14(7-4-12)18-16-8-5-13(11(2)20)9-15(16)17/h3-9,18H,17H2,1-2H3
InChIKeyNHIHDWYJWCIYIN-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.42
Rot. Bonds4

About 1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone

1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone (PubChem CID 82487575) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
PubChem CID82487575
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(C(C)=O)cc2N)cc1
InChIInChI=1S/C16H16N2O2/c1-10(19)12-3-6-14(7-4-12)18-16-8-5-13(11(2)20)9-15(16)17/h3-9,18H,17H2,1-2H3
InChIKeyNHIHDWYJWCIYIN-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828
1-[3-amino-4-(1,3-benzodioxol-5-ylamino)phenyl]ethanone
CID 96667508
1-[4-(4-amino-2-chloroanilino)phenyl]ethanone
CID 82302045
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone
CID 82468958
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
methyl 3-amino-4-(4-phenoxyanilino)benzoate
CID 100629896
1-[3-(4-aminoanilino)phenyl]ethanone
CID 82287829
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
3-amino-4-(3,4-dimethoxyanilino)benzamide
CID 43448410
3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide
CID 82988904

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone?
The IUPAC name of 1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone (CID 82487575) is 1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone is CC(=O)c1ccc(Nc2ccc(C(C)=O)cc2N)cc1.
What is the InChIKey of 1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone?
The InChIKey is NHIHDWYJWCIYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10(19)12-3-6-14(7-4-12)18-16-8-5-13(11(2)20)9-15(16)17/h3-9,18H,17H2,1-2H3.
What are the key properties of 1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone?
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone has a molecular weight of 268.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone is sourced from PubChem (CID 82487575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).