3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide

C14H16Cl3NO — CID 106366901

IUPAC3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CCl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl3NO/c15-8-10-3-1-2-4-13(10)18-14(19)9-5-6-11(16)12(17)7-9/h5-7,10,13H,1-4,8H2,(H,18,19)
InChIKeyLRJCYSDCBMMDPK-UHFFFAOYSA-N
MW320.65 g/mol
LogP4.52
Rot. Bonds3

About 3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide

3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide (PubChem CID 106366901) has the molecular formula C14H16Cl3NO and a molecular weight of 320.65 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
PubChem CID106366901
Molecular FormulaC14H16Cl3NO
Molecular Weight320.65 g/mol
Exact Mass319.03
IUPAC Name3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CCl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl3NO/c15-8-10-3-1-2-4-13(10)18-14(19)9-5-6-11(16)12(17)7-9/h5-7,10,13H,1-4,8H2,(H,18,19)
InChIKeyLRJCYSDCBMMDPK-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.65
LogP ≤ 54.52
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-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179364
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114179381
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
CID 114179592
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 106366820

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide (CID 106366901) is 3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide is O=C(NC1CCCCC1CCl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide?
The InChIKey is LRJCYSDCBMMDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl3NO/c15-8-10-3-1-2-4-13(10)18-14(19)9-5-6-11(16)12(17)7-9/h5-7,10,13H,1-4,8H2,(H,18,19).
What are the key properties of 3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide?
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide has a molecular weight of 320.65 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 106366901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).