3-cyano-N-(2,6-dichlorophenyl)benzamide

C14H8Cl2N2O — CID 43386585

IUPAC3-cyano-N-(2,6-dichlorophenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H8Cl2N2O/c15-11-5-2-6-12(16)13(11)18-14(19)10-4-1-3-9(7-10)8-17/h1-7H,(H,18,19)
InChIKeyIABFHBCMGGRPOT-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.12
Rot. Bonds2

About 3-cyano-N-(2,6-dichlorophenyl)benzamide

3-cyano-N-(2,6-dichlorophenyl)benzamide (PubChem CID 43386585) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 3-cyano-N-(2,6-dichlorophenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2,6-dichlorophenyl)benzamide
PubChem CID43386585
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name3-cyano-N-(2,6-dichlorophenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H8Cl2N2O/c15-11-5-2-6-12(16)13(11)18-14(19)10-4-1-3-9(7-10)8-17/h1-7H,(H,18,19)
InChIKeyIABFHBCMGGRPOT-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

N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 103600288
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide
CID 108808709
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide
CID 104723758
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
5-[(3-cyanobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 10448085

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,6-dichlorophenyl)benzamide?
The IUPAC name of 3-cyano-N-(2,6-dichlorophenyl)benzamide (CID 43386585) is 3-cyano-N-(2,6-dichlorophenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2,6-dichlorophenyl)benzamide?
The canonical SMILES for 3-cyano-N-(2,6-dichlorophenyl)benzamide is N#Cc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-cyano-N-(2,6-dichlorophenyl)benzamide?
The InChIKey is IABFHBCMGGRPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-11-5-2-6-12(16)13(11)18-14(19)10-4-1-3-9(7-10)8-17/h1-7H,(H,18,19).
What are the key properties of 3-cyano-N-(2,6-dichlorophenyl)benzamide?
3-cyano-N-(2,6-dichlorophenyl)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-cyano-N-(2,6-dichlorophenyl)benzamide is sourced from PubChem (CID 43386585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).