N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide

C15H20ClNO3 — CID 114301418

IUPACN-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCCC2Cl)c(O)c1
InChIInChI=1S/C15H20ClNO3/c1-20-11-6-7-12(14(18)8-11)15(19)17-9-10-4-2-3-5-13(10)16/h6-8,10,13,18H,2-5,9H2,1H3,(H,17,19)
InChIKeyNOOKXYSWSKYUQV-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.93
Rot. Bonds4

About N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide

N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 114301418) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
PubChem CID114301418
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCCC2Cl)c(O)c1
InChIInChI=1S/C15H20ClNO3/c1-20-11-6-7-12(14(18)8-11)15(19)17-9-10-4-2-3-5-13(10)16/h6-8,10,13,18H,2-5,9H2,1H3,(H,17,19)
InChIKeyNOOKXYSWSKYUQV-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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-[[2-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 114317332
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-4-methoxybenzamide
CID 82732421
N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113272641
2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115413437
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxy-4-methoxybenzamide
CID 63316349
N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
CID 113272650
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
CID 114307019

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide (CID 114301418) is N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCCCC2Cl)c(O)c1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is NOOKXYSWSKYUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-20-11-6-7-12(14(18)8-11)15(19)17-9-10-4-2-3-5-13(10)16/h6-8,10,13,18H,2-5,9H2,1H3,(H,17,19).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide?
N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 297.78 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114301418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).