2-chloro-5-[(2-methylcyclohexyl)amino]benzamide

C14H19ClN2O — CID 43713517

IUPAC2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
SMILESCC1CCCCC1Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C14H19ClN2O/c1-9-4-2-3-5-13(9)17-10-6-7-12(15)11(8-10)14(16)18/h6-9,13,17H,2-5H2,1H3,(H2,16,18)
InChIKeyYRROHRMCMOZQJI-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-5-[(2-methylcyclohexyl)amino]benzamide

2-chloro-5-[(2-methylcyclohexyl)amino]benzamide (PubChem CID 43713517) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-5-[(2-methylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
PubChem CID43713517
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
SMILESCC1CCCCC1Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C14H19ClN2O/c1-9-4-2-3-5-13(9)17-10-6-7-12(15)11(8-10)14(16)18/h6-9,13,17H,2-5H2,1H3,(H2,16,18)
InChIKeyYRROHRMCMOZQJI-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-dimethyl-5-[(2-methylcyclopentyl)amino]benzamide
CID 65044373
1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone
CID 104612930
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654
5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide
CID 43206245
2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide
CID 64751160
4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
CID 107619202
2-chloro-4-[(2-methylcyclopentyl)amino]phenol
CID 107678036
2-fluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65044578
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide
CID 43744752

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methylcyclohexyl)amino]benzamide?
The IUPAC name of 2-chloro-5-[(2-methylcyclohexyl)amino]benzamide (CID 43713517) is 2-chloro-5-[(2-methylcyclohexyl)amino]benzamide.
What is the SMILES notation for 2-chloro-5-[(2-methylcyclohexyl)amino]benzamide?
The canonical SMILES for 2-chloro-5-[(2-methylcyclohexyl)amino]benzamide is CC1CCCCC1Nc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 2-chloro-5-[(2-methylcyclohexyl)amino]benzamide?
The InChIKey is YRROHRMCMOZQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-4-2-3-5-13(9)17-10-6-7-12(15)11(8-10)14(16)18/h6-9,13,17H,2-5H2,1H3,(H2,16,18).
What are the key properties of 2-chloro-5-[(2-methylcyclohexyl)amino]benzamide?
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide has a molecular weight of 266.77 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methylcyclohexyl)amino]benzamide is sourced from PubChem (CID 43713517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).