2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide

C16H12ClN3O — CID 5254182

IUPAC2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C16H12ClN3O/c1-11(13-8-6-12(10-18)7-9-13)19-20-16(21)14-4-2-3-5-15(14)17/h2-9H,1H3,(H,20,21)
InChIKeyMXBAOYBARJFPHZ-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.37
Rot. Bonds3

About 2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide

2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide (PubChem CID 5254182) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
PubChem CID5254182
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C16H12ClN3O/c1-11(13-8-6-12(10-18)7-9-13)19-20-16(21)14-4-2-3-5-15(14)17/h2-9H,1H3,(H,20,21)
InChIKeyMXBAOYBARJFPHZ-UHFFFAOYSA-N
XLogP3.37
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.37
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

2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
CID 4035879
2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide
CID 9016411
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
methyl N-[(E)-1-(4-cyanophenyl)ethylideneamino]carbamate
CID 18526403
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
CID 7937156
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
CID 3997107
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 16553524
1-[1-(4-cyanophenyl)ethylideneamino]-3-methylthiourea
CID 4536463

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide (CID 5254182) is 2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1Cl)c1ccc(C#N)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide?
The InChIKey is MXBAOYBARJFPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-11(13-8-6-12(10-18)7-9-13)19-20-16(21)14-4-2-3-5-15(14)17/h2-9H,1H3,(H,20,21).
What are the key properties of 2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide?
2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide has a molecular weight of 297.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5254182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).