2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid

C10H9F3N2O3 — CID 90819726

IUPAC2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid
SMILESNC(=O)N(CC(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)6-1-3-7(4-2-6)15(9(14)18)5-8(16)17/h1-4H,5H2,(H2,14,18)(H,16,17)
InChIKeyNWYFGBUVTFAPGQ-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.68
Rot. Bonds3

About 2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid

2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid (PubChem CID 90819726) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid
PubChem CID90819726
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid
SMILESNC(=O)N(CC(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)6-1-3-7(4-2-6)15(9(14)18)5-8(16)17/h1-4H,5H2,(H2,14,18)(H,16,17)
InChIKeyNWYFGBUVTFAPGQ-UHFFFAOYSA-N
XLogP1.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid (CID 90819726) is 2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid is NC(=O)N(CC(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid?
The InChIKey is NWYFGBUVTFAPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)6-1-3-7(4-2-6)15(9(14)18)5-8(16)17/h1-4H,5H2,(H2,14,18)(H,16,17).
What are the key properties of 2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid?
2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid has a molecular weight of 262.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-carbamoyl-4-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 90819726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).