N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide

C16H22ClNO — CID 113272641

IUPACN-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCCC2Cl)c(C)c1
InChIInChI=1S/C16H22ClNO/c1-11-7-8-14(12(2)9-11)16(19)18-10-13-5-3-4-6-15(13)17/h7-9,13,15H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyBAXMGASFYLJJAQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.83
Rot. Bonds3

About N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide

N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide (PubChem CID 113272641) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide
PubChem CID113272641
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCCC2Cl)c(C)c1
InChIInChI=1S/C16H22ClNO/c1-11-7-8-14(12(2)9-11)16(19)18-10-13-5-3-4-6-15(13)17/h7-9,13,15H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyBAXMGASFYLJJAQ-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 113272633
N-[(2-bromocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113275114
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000
N-[(2-chlorocyclohexyl)methyl]-2-methyl-5-nitrobenzamide
CID 114301566
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114301418
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 114303260
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide (CID 113272641) is N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCC2CCCCC2Cl)c(C)c1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide?
The InChIKey is BAXMGASFYLJJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-11-7-8-14(12(2)9-11)16(19)18-10-13-5-3-4-6-15(13)17/h7-9,13,15H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide?
N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide has a molecular weight of 279.81 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 113272641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).