3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide

C15H19Cl2NO — CID 114303388

IUPAC3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2(CCl)CCCCC2)c1
InChIInChI=1S/C15H19Cl2NO/c1-11-7-12(9-13(17)8-11)14(19)18-15(10-16)5-3-2-4-6-15/h7-9H,2-6,10H2,1H3,(H,18,19)
InChIKeyHLSMWPBYSABSSY-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.32
Rot. Bonds3

About 3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide

3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide (PubChem CID 114303388) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide
PubChem CID114303388
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2(CCl)CCCCC2)c1
InChIInChI=1S/C15H19Cl2NO/c1-11-7-12(9-13(17)8-11)14(19)18-15(10-16)5-3-2-4-6-15/h7-9H,2-6,10H2,1H3,(H,18,19)
InChIKeyHLSMWPBYSABSSY-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
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

3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
CID 107975022
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196
3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 107974996
N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
CID 113272385
3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 122569574
2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
CID 114300743
2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
CID 106503132
N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 113272407
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
CID 114300478
N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide
CID 114303305
N-[1-(chloromethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114303315
N-[1-(chloromethyl)cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672614

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide?
The IUPAC name of 3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide (CID 114303388) is 3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NC2(CCl)CCCCC2)c1.
What is the InChIKey of 3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide?
The InChIKey is HLSMWPBYSABSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-11-7-12(9-13(17)8-11)14(19)18-15(10-16)5-3-2-4-6-15/h7-9H,2-6,10H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide?
3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide has a molecular weight of 300.23 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide is sourced from PubChem (CID 114303388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).