3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide

C15H11Cl2N3O — CID 107807922

IUPAC3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide
SMILESN#Cc1ccc(NCc2ccc(C(N)=O)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O/c16-12-6-10(15(19)21)2-3-11(12)8-20-14-4-1-9(7-18)5-13(14)17/h1-6,20H,8H2,(H2,19,21)
InChIKeyJJZJLSXPPGBLAG-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.58
Rot. Bonds4

About 3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide

3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide (PubChem CID 107807922) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide
PubChem CID107807922
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide
SMILESN#Cc1ccc(NCc2ccc(C(N)=O)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O/c16-12-6-10(15(19)21)2-3-11(12)8-20-14-4-1-9(7-18)5-13(14)17/h1-6,20H,8H2,(H2,19,21)
InChIKeyJJZJLSXPPGBLAG-UHFFFAOYSA-N
XLogP3.58
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(2-chloro-4-methylphenyl)methylamino]benzonitrile
CID 107807744
3-chloro-4-[(2-cyano-3-methylanilino)methyl]benzamide
CID 107804640
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959
3-chloro-4-[(2-ethylphenyl)methylamino]benzonitrile
CID 64680342
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
CID 102663918
4-[(2-chloro-4-cyanoanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 107808922
3-chloro-4-[(2-chloro-5-fluoroanilino)methyl]benzonitrile
CID 107528339
3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile
CID 102663908
3-chloro-4-(2-hydroxyethylamino)benzamide
CID 141166266
4-(2-aminoethylamino)-3-chlorobenzamide
CID 63092115
4-[(4-cyano-2-methylphenyl)methylamino]benzamide
CID 114479640

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide (CID 107807922) is 3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide is N#Cc1ccc(NCc2ccc(C(N)=O)cc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide?
The InChIKey is JJZJLSXPPGBLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c16-12-6-10(15(19)21)2-3-11(12)8-20-14-4-1-9(7-18)5-13(14)17/h1-6,20H,8H2,(H2,19,21).
What are the key properties of 3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide?
3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide has a molecular weight of 320.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide is sourced from PubChem (CID 107807922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).