3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide

C15H20ClNO2 — CID 106127994

IUPAC3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCC(O)C1)c1cccc(CCl)c1
InChIInChI=1S/C15H20ClNO2/c16-9-11-3-1-5-13(7-11)15(19)17-10-12-4-2-6-14(18)8-12/h1,3,5,7,12,14,18H,2,4,6,8-10H2,(H,17,19)
InChIKeyCZKSLAUWPRTGOO-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.71
Rot. Bonds4

About 3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide

3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide (PubChem CID 106127994) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide
PubChem CID106127994
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCC(O)C1)c1cccc(CCl)c1
InChIInChI=1S/C15H20ClNO2/c16-9-11-3-1-5-13(7-11)15(19)17-10-12-4-2-6-14(18)8-12/h1,3,5,7,12,14,18H,2,4,6,8-10H2,(H,17,19)
InChIKeyCZKSLAUWPRTGOO-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'}

Analyze 3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 111460252
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 103699975
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
4-chloro-N-[(3-hydroxycyclohexyl)methyl]-3-nitrobenzamide
CID 106120935
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide (CID 106127994) is 3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1CCCC(O)C1)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is CZKSLAUWPRTGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-9-11-3-1-5-13(7-11)15(19)17-10-12-4-2-6-14(18)8-12/h1,3,5,7,12,14,18H,2,4,6,8-10H2,(H,17,19).
What are the key properties of 3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide?
3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]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 3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 106127994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).