N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide

C15H20ClNO3 — CID 114303332

IUPACN-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CCl)CCCCC2)c(O)c1
InChIInChI=1S/C15H20ClNO3/c1-20-11-5-6-12(13(18)9-11)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyVWLAOGKIKROJRV-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.07
Rot. Bonds4

About N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide

N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 114303332) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide
PubChem CID114303332
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CCl)CCCCC2)c(O)c1
InChIInChI=1S/C15H20ClNO3/c1-20-11-5-6-12(13(18)9-11)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyVWLAOGKIKROJRV-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
N-[1-(chloromethyl)cyclohexyl]-2,5-dimethoxybenzamide
CID 114303372
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
CID 113272413
2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
CID 106503132
2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 113346628
N-[1-(chloromethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114303315
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 63767056
N-[4-(chloromethyl)oxan-4-yl]-2,4-dihydroxybenzamide
CID 106300280
2-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396
N-[1-(chloromethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide
CID 113272992
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-methoxybenzamide
CID 103806873

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide (CID 114303332) is N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC2(CCl)CCCCC2)c(O)c1.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is VWLAOGKIKROJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-20-11-5-6-12(13(18)9-11)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,17,19).
What are the key properties of N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide?
N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 297.78 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114303332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).