2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide

C15H21ClN2O — CID 64751160

IUPAC2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide
SMILESCC1CC(C)CC(Nc2ccc(Cl)c(C(N)=O)c2)C1
InChIInChI=1S/C15H21ClN2O/c1-9-5-10(2)7-12(6-9)18-11-3-4-14(16)13(8-11)15(17)19/h3-4,8-10,12,18H,5-7H2,1-2H3,(H2,17,19)
InChIKeyNQUBIVHCGWXYJT-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.68
Rot. Bonds3

About 2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide

2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide (PubChem CID 64751160) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide
PubChem CID64751160
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide
SMILESCC1CC(C)CC(Nc2ccc(Cl)c(C(N)=O)c2)C1
InChIInChI=1S/C15H21ClN2O/c1-9-5-10(2)7-12(6-9)18-11-3-4-14(16)13(8-11)15(17)19/h3-4,8-10,12,18H,5-7H2,1-2H3,(H2,17,19)
InChIKeyNQUBIVHCGWXYJT-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
CID 103561486
methyl 2-amino-5-[(3,5-dimethylcyclohexyl)amino]benzoate
CID 64731768
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
CID 43713517
4-[(3,5-dimethylcyclohexyl)amino]-2-methylbenzenecarbothioamide
CID 81277614
2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
CID 79111094
methyl 2-chloro-5-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43672724
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide
CID 43784525
2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541224
2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine
CID 104860241
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide?
The IUPAC name of 2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide (CID 64751160) is 2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide.
What is the SMILES notation for 2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide?
The canonical SMILES for 2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide is CC1CC(C)CC(Nc2ccc(Cl)c(C(N)=O)c2)C1.
What is the InChIKey of 2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide?
The InChIKey is NQUBIVHCGWXYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-9-5-10(2)7-12(6-9)18-11-3-4-14(16)13(8-11)15(17)19/h3-4,8-10,12,18H,5-7H2,1-2H3,(H2,17,19).
What are the key properties of 2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide?
2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide has a molecular weight of 280.80 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide is sourced from PubChem (CID 64751160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).