4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide

C16H15ClN2O — CID 7353788

IUPAC4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
SMILESC[C@@H](/C=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H15ClN2O/c1-12(13-5-3-2-4-6-13)11-18-19-16(20)14-7-9-15(17)10-8-14/h2-12H,1H3,(H,19,20)/b18-11+/t12-/m0/s1
InChIKeyCGMWRBNDMNMWCF-HWQJWEFDSA-N
MW286.76 g/mol
LogP3.86
Rot. Bonds4

About 4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide

4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide (PubChem CID 7353788) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
PubChem CID7353788
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
SMILESC[C@@H](/C=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H15ClN2O/c1-12(13-5-3-2-4-6-13)11-18-19-16(20)14-7-9-15(17)10-8-14/h2-12H,1H3,(H,19,20)/b18-11+/t12-/m0/s1
InChIKeyCGMWRBNDMNMWCF-HWQJWEFDSA-N
XLogP3.86
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 ≤ 53.86
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-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
CID 4694795
2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7788018
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
3-fluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 5391559
3-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7723125
4-chloro-N-(2-phenylpropylideneamino)aniline
CID 84902614
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735
N-[(E)-[(2S)-2-phenylpropylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 7494635
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957
2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7392408
4-methyl-3-nitro-N-(2-phenylpropylideneamino)benzamide
CID 4992435

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide (CID 7353788) is 4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide is C[C@@H](/C=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide?
The InChIKey is CGMWRBNDMNMWCF-HWQJWEFDSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-12(13-5-3-2-4-6-13)11-18-19-16(20)14-7-9-15(17)10-8-14/h2-12H,1H3,(H,19,20)/b18-11+/t12-/m0/s1.
What are the key properties of 4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide?
4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide has a molecular weight of 286.76 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide is sourced from PubChem (CID 7353788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).