2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide

C15H19Cl2NO2 — CID 106503135

IUPAC2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide
SMILESCC1CCC(CCl)(NC(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C15H19Cl2NO2/c1-10-4-6-15(9-16,7-5-10)18-14(20)12-8-11(19)2-3-13(12)17/h2-3,8,10,19H,4-7,9H2,1H3,(H,18,20)
InChIKeyHNPCXBCVDZPLSU-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.96
Rot. Bonds3

About 2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide

2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide (PubChem CID 106503135) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide
PubChem CID106503135
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide
SMILESCC1CCC(CCl)(NC(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C15H19Cl2NO2/c1-10-4-6-15(9-16,7-5-10)18-14(20)12-8-11(19)2-3-13(12)17/h2-3,8,10,19H,4-7,9H2,1H3,(H,18,20)
InChIKeyHNPCXBCVDZPLSU-UHFFFAOYSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.96
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

2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
CID 106503132
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
3-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-4-fluorobenzamide
CID 82879015
N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4-difluorobenzamide
CID 114304359
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
CID 107726347
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-hydroxy-2-methylbenzamide
CID 107673046
2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 106500317
N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4,6-trimethylbenzamide
CID 114304211
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979
5-chloro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527703
N-[4-(chloromethyl)oxan-4-yl]-2,4-dihydroxybenzamide
CID 106300280
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide (CID 106503135) is 2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide is CC1CCC(CCl)(NC(=O)c2cc(O)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide?
The InChIKey is HNPCXBCVDZPLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-10-4-6-15(9-16,7-5-10)18-14(20)12-8-11(19)2-3-13(12)17/h2-3,8,10,19H,4-7,9H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide?
2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide has a molecular weight of 316.23 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide is sourced from PubChem (CID 106503135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).