N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide

C16H21F2NO2 — CID 138045628

IUPACN-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C2CCC(F)(F)CC2)c1O
InChIInChI=1S/C16H21F2NO2/c1-10-4-3-5-13(14(10)20)15(21)19-11(2)12-6-8-16(17,18)9-7-12/h3-5,11-12,20H,6-9H2,1-2H3,(H,19,21)
InChIKeyMYNSTIDXIBBGRZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.64
Rot. Bonds3

About N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide

N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide (PubChem CID 138045628) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide
PubChem CID138045628
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC NameN-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C2CCC(F)(F)CC2)c1O
InChIInChI=1S/C16H21F2NO2/c1-10-4-3-5-13(14(10)20)15(21)19-11(2)12-6-8-16(17,18)9-7-12/h3-5,11-12,20H,6-9H2,1-2H3,(H,19,21)
InChIKeyMYNSTIDXIBBGRZ-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523069
N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
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2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
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N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide
CID 82828967
3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 113354364
N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
N-(2-cyclopropylpropyl)-2-hydroxy-3-methylbenzamide
CID 115591208
2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 24709135
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103769325
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide
CID 61122011

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide (CID 138045628) is N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC(C)C2CCC(F)(F)CC2)c1O.
What is the InChIKey of N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is MYNSTIDXIBBGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-10-4-3-5-13(14(10)20)15(21)19-11(2)12-6-8-16(17,18)9-7-12/h3-5,11-12,20H,6-9H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide?
N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 297.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 138045628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).