2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide

C15H21ClN2O — CID 115540492

IUPAC2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide
SMILESCC1CCCC(N(C)C(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C15H21ClN2O/c1-10-5-3-6-11(9-10)18(2)15(19)12-7-4-8-13(16)14(12)17/h4,7-8,10-11H,3,5-6,9,17H2,1-2H3
InChIKeyFEJGMIIJIABXRM-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.57
Rot. Bonds2

About 2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide

2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide (PubChem CID 115540492) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide
PubChem CID115540492
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide
SMILESCC1CCCC(N(C)C(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C15H21ClN2O/c1-10-5-3-6-11(9-10)18(2)15(19)12-7-4-8-13(16)14(12)17/h4,7-8,10-11H,3,5-6,9,17H2,1-2H3
InChIKeyFEJGMIIJIABXRM-UHFFFAOYSA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 62159524
3-fluoro-2-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 62661130
3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride
CID 119717318
2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide
CID 102858927
3-chloro-6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 62237373
3-[methyl-(3-methylcyclohexyl)carbamoyl]benzoic acid
CID 61447304
2-amino-N-cyclopropyl-N,3-dimethylbenzamide
CID 43264479
2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide
CID 69376073
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
6-chloro-N-methyl-N-(3-methylcyclohexyl)pyridazine-3-carboxamide
CID 54949412
4-fluoro-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 112702414

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide (CID 115540492) is 2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide is CC1CCCC(N(C)C(=O)c2cccc(Cl)c2N)C1.
What is the InChIKey of 2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide?
The InChIKey is FEJGMIIJIABXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-5-3-6-11(9-10)18(2)15(19)12-7-4-8-13(16)14(12)17/h4,7-8,10-11H,3,5-6,9,17H2,1-2H3.
What are the key properties of 2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide?
2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide is sourced from PubChem (CID 115540492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).