2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide

C15H16BrClN2O — CID 107988089

IUPAC2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1Br)C1(C#N)CCCCC1
InChIInChI=1S/C15H16BrClN2O/c1-19(15(10-18)7-3-2-4-8-15)14(20)12-6-5-11(17)9-13(12)16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyLFSCLJSZDKTQJF-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.40
Rot. Bonds2

About 2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide

2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide (PubChem CID 107988089) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide
PubChem CID107988089
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1Br)C1(C#N)CCCCC1
InChIInChI=1S/C15H16BrClN2O/c1-19(15(10-18)7-3-2-4-8-15)14(20)12-6-5-11(17)9-13(12)16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyLFSCLJSZDKTQJF-UHFFFAOYSA-N
XLogP4.40
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-cyanocyclohexyl)-4-fluoro-N-methylbenzamide
CID 107951776
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide
CID 61215479
N-(1-cyanocyclohexyl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide
CID 7870610
5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide
CID 107371975
2-(3-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 17468407
N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide
CID 82130674
3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone
CID 107988255
2-chloro-N-(1-cyanocyclopropyl)-N-methyl-5-nitrobenzamide
CID 122615418
2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 7382488
4-chloro-N-(1-ethynylcyclohexyl)-N-methylbenzamide
CID 71391064
2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 114025196

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide?
The IUPAC name of 2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide (CID 107988089) is 2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1Br)C1(C#N)CCCCC1.
What is the InChIKey of 2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide?
The InChIKey is LFSCLJSZDKTQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-19(15(10-18)7-3-2-4-8-15)14(20)12-6-5-11(17)9-13(12)16/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide?
2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide has a molecular weight of 355.66 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide is sourced from PubChem (CID 107988089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).