2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C11H10F4N2O3 — CID 103871135

IUPAC2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)c1ccc(N)cc1F)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H10F4N2O3/c1-10(9(19)20,11(13,14)15)17-8(18)6-3-2-5(16)4-7(6)12/h2-4H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyFQHXFUTVJGKNTO-UHFFFAOYSA-N
MW294.20 g/mol
LogP1.54
Rot. Bonds3

About 2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 103871135) has the molecular formula C11H10F4N2O3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID103871135
Molecular FormulaC11H10F4N2O3
Molecular Weight294.20 g/mol
Exact Mass294.06
IUPAC Name2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)c1ccc(N)cc1F)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H10F4N2O3/c1-10(9(19)20,11(13,14)15)17-8(18)6-3-2-5(16)4-7(6)12/h2-4H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyFQHXFUTVJGKNTO-UHFFFAOYSA-N
XLogP1.54
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-4,5-difluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791903
2-[(3-chloro-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 81267773
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066
3-[(4-amino-2-fluorobenzoyl)amino]-4,4-dimethylpentanoic acid
CID 107794801
3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 79795980
2-[(3,5-difluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796236
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
2-[(2,6-difluoro-3-methylbenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 82796858
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110
(2S)-2-[(4-amino-2-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 103869089

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 103871135) is 2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(NC(=O)c1ccc(N)cc1F)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is FQHXFUTVJGKNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O3/c1-10(9(19)20,11(13,14)15)17-8(18)6-3-2-5(16)4-7(6)12/h2-4H,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 294.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-fluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 103871135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).