4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide

C15H20ClNO2 — CID 106359879

IUPAC4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CO)c1ccc(CCl)cc1
InChIInChI=1S/C15H20ClNO2/c16-9-11-5-7-12(8-6-11)15(19)17-14-4-2-1-3-13(14)10-18/h5-8,13-14,18H,1-4,9-10H2,(H,17,19)
InChIKeyJCOAAXHCXHVRTG-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.71
Rot. Bonds4

About 4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide

4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 106359879) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID106359879
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CO)c1ccc(CCl)cc1
InChIInChI=1S/C15H20ClNO2/c16-9-11-5-7-12(8-6-11)15(19)17-14-4-2-1-3-13(14)10-18/h5-8,13-14,18H,1-4,9-10H2,(H,17,19)
InChIKeyJCOAAXHCXHVRTG-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103860544
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103774443
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide (CID 106359879) is 4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide is O=C(NC1CCCCC1CO)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is JCOAAXHCXHVRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-9-11-5-7-12(8-6-11)15(19)17-14-4-2-1-3-13(14)10-18/h5-8,13-14,18H,1-4,9-10H2,(H,17,19).
What are the key properties of 4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 281.78 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 106359879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).