2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide

C14H17ClN2O — CID 110187726

IUPAC2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)(C#N)NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-10(2)8-14(3,9-16)17-13(18)11-6-4-5-7-12(11)15/h4-7,10H,8H2,1-3H3,(H,17,18)
InChIKeyAJBIANXTKKEZLV-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.40
Rot. Bonds4

About 2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide

2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide (PubChem CID 110187726) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide
PubChem CID110187726
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)(C#N)NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-10(2)8-14(3,9-16)17-13(18)11-6-4-5-7-12(11)15/h4-7,10H,8H2,1-3H3,(H,17,18)
InChIKeyAJBIANXTKKEZLV-UHFFFAOYSA-N
XLogP3.40
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-cyanobutan-2-yl)-2-fluorobenzamide
CID 80998996
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510
2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide
CID 139676098
methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate
CID 54303079
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide
CID 61119977
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide
CID 95284849
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
2-(4-chloroanilino)-2,4-dimethylpentanenitrile
CID 60987308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide (CID 110187726) is 2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide is CC(C)CC(C)(C#N)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide?
The InChIKey is AJBIANXTKKEZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10(2)8-14(3,9-16)17-13(18)11-6-4-5-7-12(11)15/h4-7,10H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide?
2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide has a molecular weight of 264.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 110187726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).