3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide

C14H17Cl2NO — CID 114301647

IUPAC3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1Cl)c1cccc(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c15-12-6-3-5-10(8-12)14(18)17-9-11-4-1-2-7-13(11)16/h3,5-6,8,11,13H,1-2,4,7,9H2,(H,17,18)
InChIKeyFVNPWEIEKBRZDT-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.87
Rot. Bonds3

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

3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide (PubChem CID 114301647) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
PubChem CID114301647
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1Cl)c1cccc(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c15-12-6-3-5-10(8-12)14(18)17-9-11-4-1-2-7-13(11)16/h3,5-6,8,11,13H,1-2,4,7,9H2,(H,17,18)
InChIKeyFVNPWEIEKBRZDT-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.87
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-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276266
N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide
CID 114301436
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 115354542
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
N-[(2-chlorocyclohexyl)methyl]pyrimidine-5-carboxamide
CID 102922761
3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide
CID 114301502
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156867
N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide
CID 114315975
N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
CID 104672632
N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
CID 114303164

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide (CID 114301647) is 3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide is O=C(NCC1CCCCC1Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide?
The InChIKey is FVNPWEIEKBRZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-12-6-3-5-10(8-12)14(18)17-9-11-4-1-2-7-13(11)16/h3,5-6,8,11,13H,1-2,4,7,9H2,(H,17,18).
What are the key properties of 3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide?
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide has a molecular weight of 286.20 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide is sourced from PubChem (CID 114301647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).