4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide

C15H19Cl2NO — CID 114179592

IUPAC4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NC1CCCCC1CCl
InChIInChI=1S/C15H19Cl2NO/c1-10-8-12(17)6-7-13(10)15(19)18-14-5-3-2-4-11(14)9-16/h6-8,11,14H,2-5,9H2,1H3,(H,18,19)
InChIKeyNZFFIBAKWCYBRE-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.18
Rot. Bonds3

About 4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide

4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide (PubChem CID 114179592) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
PubChem CID114179592
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NC1CCCCC1CCl
InChIInChI=1S/C15H19Cl2NO/c1-10-8-12(17)6-7-13(10)15(19)18-14-5-3-2-4-11(14)9-16/h6-8,11,14H,2-5,9H2,1H3,(H,18,19)
InChIKeyNZFFIBAKWCYBRE-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.18
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

5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 106366835
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide
CID 114179397
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 114179613
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106367028
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106366828

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide?
The IUPAC name of 4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide (CID 114179592) is 4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)NC1CCCCC1CCl.
What is the InChIKey of 4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide?
The InChIKey is NZFFIBAKWCYBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-10-8-12(17)6-7-13(10)15(19)18-14-5-3-2-4-11(14)9-16/h6-8,11,14H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide?
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide has a molecular weight of 300.23 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide is sourced from PubChem (CID 114179592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).