5-chloro-N-cyclohexyl-2-methylbenzamide

C14H18ClNO — CID 83407385

IUPAC5-chloro-N-cyclohexyl-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C14H18ClNO/c1-10-7-8-11(15)9-13(10)14(17)16-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,16,17)
InChIKeyBERCIYYAXSNALD-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.71
Rot. Bonds2

About 5-chloro-N-cyclohexyl-2-methylbenzamide

5-chloro-N-cyclohexyl-2-methylbenzamide (PubChem CID 83407385) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-2-methylbenzamide
PubChem CID83407385
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name5-chloro-N-cyclohexyl-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C14H18ClNO/c1-10-7-8-11(15)9-13(10)14(17)16-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,16,17)
InChIKeyBERCIYYAXSNALD-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
5-chloro-N-cyclohexyl-2-hydrazinylbenzamide
CID 62237687
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-2-methylbenzamide?
The IUPAC name of 5-chloro-N-cyclohexyl-2-methylbenzamide (CID 83407385) is 5-chloro-N-cyclohexyl-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-cyclohexyl-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-cyclohexyl-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NC1CCCCC1.
What is the InChIKey of 5-chloro-N-cyclohexyl-2-methylbenzamide?
The InChIKey is BERCIYYAXSNALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10-7-8-11(15)9-13(10)14(17)16-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-cyclohexyl-2-methylbenzamide?
5-chloro-N-cyclohexyl-2-methylbenzamide has a molecular weight of 251.76 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-2-methylbenzamide is sourced from PubChem (CID 83407385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).