4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide

C22H20N4O2 — CID 66893885

IUPAC4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C=CC(=O)N(N)c2ccccc2)cc1
InChIInChI=1S/C22H20N4O2/c23-19-8-4-5-9-20(19)25-22(28)17-13-10-16(11-14-17)12-15-21(27)26(24)18-6-2-1-3-7-18/h1-15H,23-24H2,(H,25,28)
InChIKeyQDOAVIUAPIZJOO-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.44
Rot. Bonds5

About 4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide

4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide (PubChem CID 66893885) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide.

Molecular Properties

Compound Name4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide
PubChem CID66893885
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C=CC(=O)N(N)c2ccccc2)cc1
InChIInChI=1S/C22H20N4O2/c23-19-8-4-5-9-20(19)25-22(28)17-13-10-16(11-14-17)12-15-21(27)26(24)18-6-2-1-3-7-18/h1-15H,23-24H2,(H,25,28)
InChIKeyQDOAVIUAPIZJOO-UHFFFAOYSA-N
XLogP3.44
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
CID 141088053
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide
CID 68977988
N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide
CID 68976485
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
N-[(E)-3-(2-aminoanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 13185213
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056
4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
CID 160598237
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586

Frequently Asked Questions

What is the IUPAC name of 4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide?
The IUPAC name of 4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide (CID 66893885) is 4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide.
What is the SMILES notation for 4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide?
The canonical SMILES for 4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide is Nc1ccccc1NC(=O)c1ccc(C=CC(=O)N(N)c2ccccc2)cc1.
What is the InChIKey of 4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide?
The InChIKey is QDOAVIUAPIZJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-19-8-4-5-9-20(19)25-22(28)17-13-10-16(11-14-17)12-15-21(27)26(24)18-6-2-1-3-7-18/h1-15H,23-24H2,(H,25,28).
What are the key properties of 4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide?
4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide is sourced from PubChem (CID 66893885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).