4-(3-anilino-3-oxoprop-1-enyl)benzamide

C16H14N2O2 — CID 77047630

IUPAC4-(3-anilino-3-oxoprop-1-enyl)benzamide
SMILESNC(=O)c1ccc(C=CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H14N2O2/c17-16(20)13-9-6-12(7-10-13)8-11-15(19)18-14-4-2-1-3-5-14/h1-11H,(H2,17,20)(H,18,19)
InChIKeyKFUDXPCYXVJZIQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.44
Rot. Bonds4

About 4-(3-anilino-3-oxoprop-1-enyl)benzamide

4-(3-anilino-3-oxoprop-1-enyl)benzamide (PubChem CID 77047630) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(3-anilino-3-oxoprop-1-enyl)benzamide.

Molecular Properties

Compound Name4-(3-anilino-3-oxoprop-1-enyl)benzamide
PubChem CID77047630
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-(3-anilino-3-oxoprop-1-enyl)benzamide
SMILESNC(=O)c1ccc(C=CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H14N2O2/c17-16(20)13-9-6-12(7-10-13)8-11-15(19)18-14-4-2-1-3-5-14/h1-11H,(H2,17,20)(H,18,19)
InChIKeyKFUDXPCYXVJZIQ-UHFFFAOYSA-N
XLogP2.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(E)-3-(4-carbamoylanilino)-3-oxoprop-1-enyl]benzoate
CID 8884646
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 2677129
4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
CID 9441769
3-(4-methylsulfanylphenyl)-N-phenylprop-2-enamide
CID 4879248
4-[[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzamide
CID 18901930
(2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide
CID 59467578
4-[3-[2-(aminomethyl)phenyl]prop-2-enoylamino]benzamide
CID 174925024
CID 162324012
CID 162324012
3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
CID 3825702
4-[(E)-3-[4-(carbamoylamino)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46557826
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623

Frequently Asked Questions

What is the IUPAC name of 4-(3-anilino-3-oxoprop-1-enyl)benzamide?
The IUPAC name of 4-(3-anilino-3-oxoprop-1-enyl)benzamide (CID 77047630) is 4-(3-anilino-3-oxoprop-1-enyl)benzamide.
What is the SMILES notation for 4-(3-anilino-3-oxoprop-1-enyl)benzamide?
The canonical SMILES for 4-(3-anilino-3-oxoprop-1-enyl)benzamide is NC(=O)c1ccc(C=CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(3-anilino-3-oxoprop-1-enyl)benzamide?
The InChIKey is KFUDXPCYXVJZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-16(20)13-9-6-12(7-10-13)8-11-15(19)18-14-4-2-1-3-5-14/h1-11H,(H2,17,20)(H,18,19).
What are the key properties of 4-(3-anilino-3-oxoprop-1-enyl)benzamide?
4-(3-anilino-3-oxoprop-1-enyl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilino-3-oxoprop-1-enyl)benzamide is sourced from PubChem (CID 77047630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).