5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid

C13H15F3N2O3 — CID 63653892

IUPAC5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCCN(CC(F)(F)F)C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C13H15F3N2O3/c1-3-18(7-13(14,15)16)12(21)17-9-5-4-8(2)10(6-9)11(19)20/h4-6H,3,7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyZVQFYLUZQQMRMW-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.11
Rot. Bonds4

About 5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid

5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid (PubChem CID 63653892) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid
PubChem CID63653892
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCCN(CC(F)(F)F)C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C13H15F3N2O3/c1-3-18(7-13(14,15)16)12(21)17-9-5-4-8(2)10(6-9)11(19)20/h4-6H,3,7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyZVQFYLUZQQMRMW-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic 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

5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653720
5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653015
5-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 79377238
2-[(3-fluoro-4-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263446
5-[bis(prop-2-enyl)carbamoylamino]-2-methylbenzoic acid
CID 63654218
2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 63653539
2-bromo-5-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]benzoic acid
CID 115296752
3-(3-cyano-4-methoxyphenyl)-1-ethyl-1-(2,2,2-trifluoroethyl)urea
CID 72867723
5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylbenzoic acid
CID 115432532
5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 79480960
2-bromo-5-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296697
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]benzoic acid
CID 107481973

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid?
The IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid (CID 63653892) is 5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid is CCN(CC(F)(F)F)C(=O)Nc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid?
The InChIKey is ZVQFYLUZQQMRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-3-18(7-13(14,15)16)12(21)17-9-5-4-8(2)10(6-9)11(19)20/h4-6H,3,7H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid?
5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid has a molecular weight of 304.27 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 63653892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).