1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone

C16H16N4O2 — CID 134604009

IUPAC1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone
SMILESCC(=O)c1cc(/N=N/c2ccc(N)c(C(C)=O)c2)ccc1N
InChIInChI=1S/C16H16N4O2/c1-9(21)13-7-11(3-5-15(13)17)19-20-12-4-6-16(18)14(8-12)10(2)22/h3-8H,17-18H2,1-2H3/b20-19+
InChIKeyAPAMWUALLJAFQH-FMQUCBEESA-N
MW296.33 g/mol
LogP3.67
Rot. Bonds4

About 1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone

1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone (PubChem CID 134604009) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone.

Molecular Properties

Compound Name1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone
PubChem CID134604009
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone
SMILESCC(=O)c1cc(/N=N/c2ccc(N)c(C(C)=O)c2)ccc1N
InChIInChI=1S/C16H16N4O2/c1-9(21)13-7-11(3-5-15(13)17)19-20-12-4-6-16(18)14(8-12)10(2)22/h3-8H,17-18H2,1-2H3/b20-19+
InChIKeyAPAMWUALLJAFQH-FMQUCBEESA-N
XLogP3.67
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-tert-butylphenyl)ethanone
CID 83988010
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
2-amino-5-[(3-sulfophenyl)diazenyl]benzoic acid
CID 22706692
lithium 3-(3-acetyl-4-aminophenyl)propanoate
CID 58481210
3-acetyl-5-[(4-chlorophenyl)diazenyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 135818800
5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 3022919
1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone
CID 137434412
acetic acid;4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine
CID 6453253
1-[2-amino-5-(4-iodophenoxy)phenyl]ethanone
CID 104613269
1-[2-amino-5-(3-sulfanylprop-1-enyl)phenyl]ethanone
CID 169455613
1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone
CID 104613094
1-[2-amino-5-(2-methylpropylamino)phenyl]ethanone
CID 104612186

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone?
The IUPAC name of 1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone (CID 134604009) is 1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone.
What is the SMILES notation for 1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone?
The canonical SMILES for 1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone is CC(=O)c1cc(/N=N/c2ccc(N)c(C(C)=O)c2)ccc1N.
What is the InChIKey of 1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone?
The InChIKey is APAMWUALLJAFQH-FMQUCBEESA-N. The full InChI is InChI=1S/C16H16N4O2/c1-9(21)13-7-11(3-5-15(13)17)19-20-12-4-6-16(18)14(8-12)10(2)22/h3-8H,17-18H2,1-2H3/b20-19+.
What are the key properties of 1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone?
1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone has a molecular weight of 296.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone is sourced from PubChem (CID 134604009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).