3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

C14H14F3NO3 — CID 103549795

IUPAC3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-4-11(10)18-12(19)8-5-6-9(7-8)13(20)21/h1-4,8-9H,5-7H2,(H,18,19)(H,20,21)
InChIKeyCMYFZILENNECSX-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.14
Rot. Bonds3

About 3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103549795) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103549795
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-4-11(10)18-12(19)8-5-6-9(7-8)13(20)21/h1-4,8-9H,5-7H2,(H,18,19)(H,20,21)
InChIKeyCMYFZILENNECSX-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6R)-6-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 897574
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 2898045
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777
1-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 17152558
1-(cyclopropanecarbonylamino)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2730250
2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109150093
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 114422580
2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64837457
2-N-benzyl-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109135080

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103549795) is 3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is CMYFZILENNECSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-4-11(10)18-12(19)8-5-6-9(7-8)13(20)21/h1-4,8-9H,5-7H2,(H,18,19)(H,20,21).
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 301.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).