3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide

C16H14N2O3 — CID 23557298

IUPAC3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
SMILESO=C(/C=C/c1cccc(C(=O)Nc2ccccc2)c1)NO
InChIInChI=1S/C16H14N2O3/c19-15(18-21)10-9-12-5-4-6-13(11-12)16(20)17-14-7-2-1-3-8-14/h1-11,21H,(H,17,20)(H,18,19)/b10-9+
InChIKeyJWEJHZRCHWXZMQ-MDZDMXLPSA-N
MW282.30 g/mol
LogP2.46
Rot. Bonds4

About 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide

3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide (PubChem CID 23557298) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
PubChem CID23557298
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
SMILESO=C(/C=C/c1cccc(C(=O)Nc2ccccc2)c1)NO
InChIInChI=1S/C16H14N2O3/c19-15(18-21)10-9-12-5-4-6-13(11-12)16(20)17-14-7-2-1-3-8-14/h1-11,21H,(H,17,20)(H,18,19)/b10-9+
InChIKeyJWEJHZRCHWXZMQ-MDZDMXLPSA-N
XLogP2.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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

3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide
CID 23557297
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide
CID 174203715
N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123609140
N-(3-chloro-4-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 26166587
4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide
CID 1228214
N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 2832490
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-methyl-5-phenylpenta-2,4-dienamide
CID 85330809
2-[(E)-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]hydrazinylidene]methyl]benzoic acid
CID 88862098
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
(E)-3-[4-[(3-bromobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411616
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide?
The IUPAC name of 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide (CID 23557298) is 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide?
The canonical SMILES for 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide is O=C(/C=C/c1cccc(C(=O)Nc2ccccc2)c1)NO.
What is the InChIKey of 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide?
The InChIKey is JWEJHZRCHWXZMQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(18-21)10-9-12-5-4-6-13(11-12)16(20)17-14-7-2-1-3-8-14/h1-11,21H,(H,17,20)(H,18,19)/b10-9+.
What are the key properties of 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide?
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide has a molecular weight of 282.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide is sourced from PubChem (CID 23557298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).