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

C11H8Cl2F3NO3 — CID 78990430

IUPAC2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2F3NO3/c12-6-1-2-8(13)7(3-6)10(20)17(4-9(18)19)5-11(14,15)16/h1-3H,4-5H2,(H,18,19)
InChIKeyUVYAJYPOKROTPY-UHFFFAOYSA-N
MW330.09 g/mol
LogP3.08
Rot. Bonds4

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

2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78990430) has the molecular formula C11H8Cl2F3NO3 and a molecular weight of 330.09 g/mol. Its IUPAC name is 2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78990430
Molecular FormulaC11H8Cl2F3NO3
Molecular Weight330.09 g/mol
Exact Mass328.98
IUPAC Name2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2F3NO3/c12-6-1-2-8(13)7(3-6)10(20)17(4-9(18)19)5-11(14,15)16/h1-3H,4-5H2,(H,18,19)
InChIKeyUVYAJYPOKROTPY-UHFFFAOYSA-N
XLogP3.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106500354
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-[(3-chloro-5-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81322907
2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81481850
2-[(2,5-dimethylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990159
2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 113351071
2-[(2,5-dimethylfuran-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990637
2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258723
5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531101
2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258051
2-[(4-bromo-2-methoxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115368686

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 78990430) is 2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UVYAJYPOKROTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3NO3/c12-6-1-2-8(13)7(3-6)10(20)17(4-9(18)19)5-11(14,15)16/h1-3H,4-5H2,(H,18,19).
What are the key properties of 2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 330.09 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78990430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).