2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid

C11H10F3NO3 — CID 79795990

IUPAC2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)c1ccccc1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H10F3NO3/c1-10(9(17)18,11(12,13)14)15-8(16)7-5-3-2-4-6-7/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyKDXMNSZLGGPXRQ-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.82
Rot. Bonds3

About 2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid

2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79795990) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79795990
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)c1ccccc1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H10F3NO3/c1-10(9(17)18,11(12,13)14)15-8(16)7-5-3-2-4-6-7/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyKDXMNSZLGGPXRQ-UHFFFAOYSA-N
XLogP1.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-methyl-2-[(4-methylbenzoyl)amino]propanoic acid
CID 79795388
3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 79795980
3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid
CID 79795224
3,3,3-trifluoro-2-methyl-2-[(3-methylbenzoyl)amino]propanoic acid
CID 79796397
2-[(3,5-difluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796236
3,3,3-trifluoro-2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoic acid
CID 79796230
3,3,3-trifluoro-2-methyl-2-[[3-(pyridin-2-ylmethyl)benzoyl]amino]propanoic acid
CID 167884610
3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450
2-anilino-3,3,3-trifluoro-2-methylpropanoic acid
CID 106523306
3,3,3-trifluoro-2-methyl-2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 79798429
3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 79795231
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid (CID 79795990) is 2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid is CC(NC(=O)c1ccccc1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is KDXMNSZLGGPXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c1-10(9(17)18,11(12,13)14)15-8(16)7-5-3-2-4-6-7/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid?
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 261.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79795990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).