4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide

C16H16ClN3O — CID 5340804

IUPAC4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN3O/c1-20(2)15-9-3-12(4-10-15)11-18-19-16(21)13-5-7-14(17)8-6-13/h3-11H,1-2H3,(H,19,21)/b18-11+
InChIKeyWGXXBEBMZAVWKW-WOJGMQOQSA-N
MW301.78 g/mol
LogP3.17
Rot. Bonds4

About 4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide

4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide (PubChem CID 5340804) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
PubChem CID5340804
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN3O/c1-20(2)15-9-3-12(4-10-15)11-18-19-16(21)13-5-7-14(17)8-6-13/h3-11H,1-2H3,(H,19,21)/b18-11+
InChIKeyWGXXBEBMZAVWKW-WOJGMQOQSA-N
XLogP3.17
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126150848
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 89119525
2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 2776651
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 5443006
N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide
CID 76666429
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide (CID 5340804) is 4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide is CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is WGXXBEBMZAVWKW-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-20(2)15-9-3-12(4-10-15)11-18-19-16(21)13-5-7-14(17)8-6-13/h3-11H,1-2H3,(H,19,21)/b18-11+.
What are the key properties of 4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 301.78 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 5340804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).