2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid

C19H16F3NO3 — CID 127042484

IUPAC2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(C2CC2C(=O)O)cc1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)16-4-2-1-3-13(16)10-23-17(24)12-7-5-11(6-8-12)14-9-15(14)18(25)26/h1-8,14-15H,9-10H2,(H,23,24)(H,25,26)
InChIKeyAWWROVFOHVYUCT-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.82
Rot. Bonds5

About 2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid

2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 127042484) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID127042484
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(C2CC2C(=O)O)cc1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)16-4-2-1-3-13(16)10-23-17(24)12-7-5-11(6-8-12)14-9-15(14)18(25)26/h1-8,14-15H,9-10H2,(H,23,24)(H,25,26)
InChIKeyAWWROVFOHVYUCT-UHFFFAOYSA-N
XLogP3.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2'-Phenethylcarbamoyl-biphenyl-2-carboxylic acid
CID 823506
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CID 4917667
4-[[(4-Phenylbenzoyl)amino]methyl]benzoic acid
CID 17171912
4-((4-tert-Butylbenzamido)methyl)benzoic acid
CID 17360242
N-[[2-(1-methylethyl)-6-methylphenyl]carbonyl]-4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine
CID 69716544
Ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 127041516
2-[4-[(Pentanoylamino)methyl]phenyl]benzoic acid
CID 144527428
4-[(4-Trifluoromethyl-benzoylamino)-methyl]-benzoic acid
CID 729657
2'-[(Isobutylamino)carbonyl]-2-biphenylcarboxylic acid
CID 683373
2-[2-[[3-(Trifluoromethyl)phenyl]methylcarbamoyl]phenyl]benzoic acid
CID 1431346
N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11610826

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid (CID 127042484) is 2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid is O=C(NCc1ccccc1C(F)(F)F)c1ccc(C2CC2C(=O)O)cc1.
What is the InChIKey of 2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is AWWROVFOHVYUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-19(21,22)16-4-2-1-3-13(16)10-23-17(24)12-7-5-11(6-8-12)14-9-15(14)18(25)26/h1-8,14-15H,9-10H2,(H,23,24)(H,25,26).
What are the key properties of 2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid?
2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 363.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 127042484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).