4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide

C16H15ClN2O — CID 3643342

IUPAC4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
SMILESCC(Cc1ccccc1)=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O/c1-12(11-13-5-3-2-4-6-13)18-19-16(20)14-7-9-15(17)10-8-14/h2-10H,11H2,1H3,(H,19,20)
InChIKeyIUFGXDFZKMNMBM-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.69
Rot. Bonds4

About 4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide

4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide (PubChem CID 3643342) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
PubChem CID3643342
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
SMILESCC(Cc1ccccc1)=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O/c1-12(11-13-5-3-2-4-6-13)18-19-16(20)14-7-9-15(17)10-8-14/h2-10H,11H2,1H3,(H,19,20)
InChIKeyIUFGXDFZKMNMBM-UHFFFAOYSA-N
XLogP3.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9060327
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 4307399
(2E)-2-[(4-chlorobenzoyl)hydrazinylidene]propanoic acid;hydrate
CID 139076387
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505
(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6369433

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide?
The IUPAC name of 4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide (CID 3643342) is 4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide.
What is the SMILES notation for 4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide?
The canonical SMILES for 4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide is CC(Cc1ccccc1)=NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide?
The InChIKey is IUFGXDFZKMNMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-12(11-13-5-3-2-4-6-13)18-19-16(20)14-7-9-15(17)10-8-14/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide?
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide has a molecular weight of 286.76 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide is sourced from PubChem (CID 3643342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).