N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C16H20F3NO2 — CID 71849732

IUPACN-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H20F3NO2/c1-20(10-11-5-4-6-12(21)9-11)15(22)13-7-2-3-8-14(13)16(17,18)19/h4-6,9,13-14,21H,2-3,7-8,10H2,1H3
InChIKeyMJKBRNRIXKNHEE-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.72
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 71849732) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID71849732
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H20F3NO2/c1-20(10-11-5-4-6-12(21)9-11)15(22)13-7-2-3-8-14(13)16(17,18)19/h4-6,9,13-14,21H,2-3,7-8,10H2,1H3
InChIKeyMJKBRNRIXKNHEE-UHFFFAOYSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 71849732) is N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is CN(Cc1cccc(O)c1)C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is MJKBRNRIXKNHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-20(10-11-5-4-6-12(21)9-11)15(22)13-7-2-3-8-14(13)16(17,18)19/h4-6,9,13-14,21H,2-3,7-8,10H2,1H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71849732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).