2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid

C15H16F3NO3 — CID 120975402

IUPAC2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)12-4-2-1-3-9(12)7-8-19-13(20)10-5-6-11(10)14(21)22/h1-4,10-11H,5-8H2,(H,19,20)(H,21,22)
InChIKeyXPZANUQVGKHQPE-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.47
Rot. Bonds5

About 2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid

2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975402) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975402
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)12-4-2-1-3-9(12)7-8-19-13(20)10-5-6-11(10)14(21)22/h1-4,10-11H,5-8H2,(H,19,20)(H,21,22)
InChIKeyXPZANUQVGKHQPE-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
(2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 95059523
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575
(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 97146004
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
2-(2-phenylsulfanylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974542
cis-(1S,3R)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552892
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
trans-(1S,3S)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552893

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975402) is 2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is XPZANUQVGKHQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3/c16-15(17,18)12-4-2-1-3-9(12)7-8-19-13(20)10-5-6-11(10)14(21)22/h1-4,10-11H,5-8H2,(H,19,20)(H,21,22).
What are the key properties of 2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 315.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).