4-(4-chloro-2-formyl-N-methylanilino)benzonitrile

C15H11ClN2O — CID 114844270

IUPAC4-(4-chloro-2-formyl-N-methylanilino)benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1ccc(Cl)cc1C=O
InChIInChI=1S/C15H11ClN2O/c1-18(14-5-2-11(9-17)3-6-14)15-7-4-13(16)8-12(15)10-19/h2-8,10H,1H3
InChIKeyXUJPMGBEPIZPCP-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.79
Rot. Bonds3

About 4-(4-chloro-2-formyl-N-methylanilino)benzonitrile

4-(4-chloro-2-formyl-N-methylanilino)benzonitrile (PubChem CID 114844270) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(4-chloro-2-formyl-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name4-(4-chloro-2-formyl-N-methylanilino)benzonitrile
PubChem CID114844270
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name4-(4-chloro-2-formyl-N-methylanilino)benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1ccc(Cl)cc1C=O
InChIInChI=1S/C15H11ClN2O/c1-18(14-5-2-11(9-17)3-6-14)15-7-4-13(16)8-12(15)10-19/h2-8,10H,1H3
InChIKeyXUJPMGBEPIZPCP-UHFFFAOYSA-N
XLogP3.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-4-formyl-N-methylanilino)benzonitrile
CID 81145323
4-[4-chloro-2-(chloromethyl)-N-methylanilino]benzonitrile
CID 114846631
3-chloro-4-(4-cyano-N-methylanilino)benzonitrile
CID 63094109
5-chloro-2-(N,4-dimethylanilino)benzonitrile
CID 63511822
3-(2-formyl-N-methyl-4-nitroanilino)benzonitrile
CID 62971786
4-(4-chloro-2-formylphenoxy)-3,5-dimethylbenzonitrile
CID 114844943
4-(4-chlorophenyl)-3-formylbenzonitrile
CID 175454533
2-(4-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673596
2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62982925
4-(5-chloro-2-cyano-N-methylanilino)benzoic acid
CID 104698419
4-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]benzonitrile
CID 79727609
4-[(2,5-dichlorophenyl)methyl-methylamino]benzonitrile
CID 65317327

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-formyl-N-methylanilino)benzonitrile?
The IUPAC name of 4-(4-chloro-2-formyl-N-methylanilino)benzonitrile (CID 114844270) is 4-(4-chloro-2-formyl-N-methylanilino)benzonitrile.
What is the SMILES notation for 4-(4-chloro-2-formyl-N-methylanilino)benzonitrile?
The canonical SMILES for 4-(4-chloro-2-formyl-N-methylanilino)benzonitrile is CN(c1ccc(C#N)cc1)c1ccc(Cl)cc1C=O.
What is the InChIKey of 4-(4-chloro-2-formyl-N-methylanilino)benzonitrile?
The InChIKey is XUJPMGBEPIZPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-18(14-5-2-11(9-17)3-6-14)15-7-4-13(16)8-12(15)10-19/h2-8,10H,1H3.
What are the key properties of 4-(4-chloro-2-formyl-N-methylanilino)benzonitrile?
4-(4-chloro-2-formyl-N-methylanilino)benzonitrile has a molecular weight of 270.72 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-formyl-N-methylanilino)benzonitrile is sourced from PubChem (CID 114844270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).