2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide

C15H16BrClN2O — CID 107987700

IUPAC2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide
SMILESCC1CCC(C#N)(NC(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C15H16BrClN2O/c1-10-4-6-15(9-18,7-5-10)19-14(20)12-3-2-11(17)8-13(12)16/h2-3,8,10H,4-7H2,1H3,(H,19,20)
InChIKeyWNVRNCAMIRTQGD-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.30
Rot. Bonds2

About 2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide

2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide (PubChem CID 107987700) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide
PubChem CID107987700
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide
SMILESCC1CCC(C#N)(NC(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C15H16BrClN2O/c1-10-4-6-15(9-18,7-5-10)19-14(20)12-3-2-11(17)8-13(12)16/h2-3,8,10H,4-7H2,1H3,(H,19,20)
InChIKeyWNVRNCAMIRTQGD-UHFFFAOYSA-N
XLogP4.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-(3-cyanothiolan-3-yl)benzamide
CID 103764911
3-bromo-N-(1-cyano-4-methylcyclohexyl)-2-fluorobenzamide
CID 107951120
N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102883092
2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide
CID 103765307
N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830256
5-bromo-N-(1-cyano-4-methylcyclohexyl)thiophene-3-carboxamide
CID 114021227
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide
CID 61120141
5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
CID 86986055
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460
5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
CID 54912686
N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156744

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide (CID 107987700) is 2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide is CC1CCC(C#N)(NC(=O)c2ccc(Cl)cc2Br)CC1.
What is the InChIKey of 2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide?
The InChIKey is WNVRNCAMIRTQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-10-4-6-15(9-18,7-5-10)19-14(20)12-3-2-11(17)8-13(12)16/h2-3,8,10H,4-7H2,1H3,(H,19,20).
What are the key properties of 2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide?
2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide has a molecular weight of 355.66 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide is sourced from PubChem (CID 107987700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).