3,4-dichloro-N-(2-cyanophenyl)benzamide

C14H8Cl2N2O — CID 798668

IUPAC3,4-dichloro-N-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2N2O/c15-11-6-5-9(7-12(11)16)14(19)18-13-4-2-1-3-10(13)8-17/h1-7H,(H,18,19)
InChIKeyHCAMCDKNGPJXIS-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.12
Rot. Bonds2

About 3,4-dichloro-N-(2-cyanophenyl)benzamide

3,4-dichloro-N-(2-cyanophenyl)benzamide (PubChem CID 798668) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-cyanophenyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-cyanophenyl)benzamide
PubChem CID798668
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name3,4-dichloro-N-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2N2O/c15-11-6-5-9(7-12(11)16)14(19)18-13-4-2-1-3-10(13)8-17/h1-7H,(H,18,19)
InChIKeyHCAMCDKNGPJXIS-UHFFFAOYSA-N
XLogP4.12
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
[2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880936
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864771
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
6-amino-3-chloro-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 62155906
N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552909
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
N-(2-cyanophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23963756
4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
CID 150757890
N-(2-cyanophenyl)-1H-indole-5-carboxamide
CID 63770547

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-cyanophenyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-cyanophenyl)benzamide (CID 798668) is 3,4-dichloro-N-(2-cyanophenyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-cyanophenyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-cyanophenyl)benzamide is N#Cc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-cyanophenyl)benzamide?
The InChIKey is HCAMCDKNGPJXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-11-6-5-9(7-12(11)16)14(19)18-13-4-2-1-3-10(13)8-17/h1-7H,(H,18,19).
What are the key properties of 3,4-dichloro-N-(2-cyanophenyl)benzamide?
3,4-dichloro-N-(2-cyanophenyl)benzamide has a molecular weight of 291.14 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-cyanophenyl)benzamide is sourced from PubChem (CID 798668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).