N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide

C15H20ClNO3 — CID 106132057

IUPACN-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCCC(Cl)C2)c1O
InChIInChI=1S/C15H20ClNO3/c1-20-13-7-3-6-12(14(13)18)15(19)17-9-10-4-2-5-11(16)8-10/h3,6-7,10-11,18H,2,4-5,8-9H2,1H3,(H,17,19)
InChIKeyYDZTYMBRMRFFQQ-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.93
Rot. Bonds4

About N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide

N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide (PubChem CID 106132057) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide
PubChem CID106132057
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCCC(Cl)C2)c1O
InChIInChI=1S/C15H20ClNO3/c1-20-13-7-3-6-12(14(13)18)15(19)17-9-10-4-2-5-11(16)8-10/h3,6-7,10-11,18H,2,4-5,8-9H2,1H3,(H,17,19)
InChIKeyYDZTYMBRMRFFQQ-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

2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide
CID 61380888
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106132134
4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide
CID 106131969
N-[(3-chlorocyclohexyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 106132192
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63898434
2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide
CID 107303203
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
CID 114146911
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide (CID 106132057) is N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)NCC2CCCC(Cl)C2)c1O.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide?
The InChIKey is YDZTYMBRMRFFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-20-13-7-3-6-12(14(13)18)15(19)17-9-10-4-2-5-11(16)8-10/h3,6-7,10-11,18H,2,4-5,8-9H2,1H3,(H,17,19).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide?
N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-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-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 106132057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).