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

C15H21ClN2O — CID 112575789

IUPAC3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCCC1CNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C15H21ClN2O/c1-10-5-2-3-6-11(10)9-18-15(19)12-7-4-8-13(17)14(12)16/h4,7-8,10-11H,2-3,5-6,9,17H2,1H3,(H,18,19)
InChIKeyVNUVGMJWXVZDSR-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.48
Rot. Bonds3

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

3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide (PubChem CID 112575789) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
PubChem CID112575789
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCCC1CNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C15H21ClN2O/c1-10-5-2-3-6-11(10)9-18-15(19)12-7-4-8-13(17)14(12)16/h4,7-8,10-11H,2-3,5-6,9,17H2,1H3,(H,18,19)
InChIKeyVNUVGMJWXVZDSR-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 55013606
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422
5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 107184871
3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide
CID 112578623
2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 102741652
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522
3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 115930557
3-amino-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107420601
3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 112575924
2-fluoro-6-hydroxy-N-[(2-methylcyclohexyl)methyl]benzamide
CID 107015192
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyridazine-3-carboxamide
CID 55052556

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide (CID 112575789) is 3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide is CC1CCCCC1CNC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide?
The InChIKey is VNUVGMJWXVZDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-5-2-3-6-11(10)9-18-15(19)12-7-4-8-13(17)14(12)16/h4,7-8,10-11H,2-3,5-6,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide?
3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide has a molecular weight of 280.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 112575789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).