2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H9ClF3NO4 — CID 106500354

IUPAC2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H9ClF3NO4/c12-8-2-1-6(17)3-7(8)10(20)16(4-9(18)19)5-11(13,14)15/h1-3,17H,4-5H2,(H,18,19)
InChIKeyRDLMYRRJKMOSMU-UHFFFAOYSA-N
MW311.64 g/mol
LogP2.13
Rot. Bonds4

About 2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 106500354) has the molecular formula C11H9ClF3NO4 and a molecular weight of 311.64 g/mol. Its IUPAC name is 2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID106500354
Molecular FormulaC11H9ClF3NO4
Molecular Weight311.64 g/mol
Exact Mass311.02
IUPAC Name2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H9ClF3NO4/c12-8-2-1-6(17)3-7(8)10(20)16(4-9(18)19)5-11(13,14)15/h1-3,17H,4-5H2,(H,18,19)
InChIKeyRDLMYRRJKMOSMU-UHFFFAOYSA-N
XLogP2.13
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990430
2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990578
2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990162
2-[(2,5-dimethylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990159
2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81481850
2-[butan-2-yl-(2-chloro-5-hydroxybenzoyl)amino]acetic acid
CID 106500217
2-[(2,5-dimethylfuran-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990637
2-[(3-chloro-5-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81322907
2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258051
N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
2-[(4-bromo-2-methoxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115368686
2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 106502176

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 106500354) is 2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is RDLMYRRJKMOSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO4/c12-8-2-1-6(17)3-7(8)10(20)16(4-9(18)19)5-11(13,14)15/h1-3,17H,4-5H2,(H,18,19).
What are the key properties of 2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 311.64 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 106500354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).