4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid

C17H20F3NO4 — CID 120672619

IUPAC4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C17H20F3NO4/c1-21(15(22)12-4-6-13(7-5-12)16(23)24)10-11-2-8-14(9-3-11)25-17(18,19)20/h2-3,8-9,12-13H,4-7,10H2,1H3,(H,23,24)
InChIKeyXEDXWKNUMVNEEG-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.43
Rot. Bonds5

About 4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672619) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is 4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672619
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C17H20F3NO4/c1-21(15(22)12-4-6-13(7-5-12)16(23)24)10-11-2-8-14(9-3-11)25-17(18,19)20/h2-3,8-9,12-13H,4-7,10H2,1H3,(H,23,24)
InChIKeyXEDXWKNUMVNEEG-UHFFFAOYSA-N
XLogP3.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344
1-N,1-N-diethyl-4-N-methyl-4-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55682821
N-methyl-1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 134004681
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
(2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 120786862
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46580296
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55967324
1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236319
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide
CID 38545209
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
4-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60936865

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120672619) is 4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XEDXWKNUMVNEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-21(15(22)12-4-6-13(7-5-12)16(23)24)10-11-2-8-14(9-3-11)25-17(18,19)20/h2-3,8-9,12-13H,4-7,10H2,1H3,(H,23,24).
What are the key properties of 4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 359.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).