2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid

C10H9F3N2O3 — CID 43320600

IUPAC2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
SMILESNC(=O)c1ccc(NCC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)7-3-5(15-4-8(16)17)1-2-6(7)9(14)18/h1-3,15H,4H2,(H2,14,18)(H,16,17)
InChIKeyFGWNZZNLILZGHA-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.30
Rot. Bonds4

About 2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid

2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid (PubChem CID 43320600) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
PubChem CID43320600
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
SMILESNC(=O)c1ccc(NCC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)7-3-5(15-4-8(16)17)1-2-6(7)9(14)18/h1-3,15H,4H2,(H2,14,18)(H,16,17)
InChIKeyFGWNZZNLILZGHA-UHFFFAOYSA-N
XLogP1.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide
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4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide
CID 115302961
4-(2-bromoprop-2-enylamino)-2-(trifluoromethyl)benzoic acid
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4-(2,2,2-trifluoroethylamino)-2-(trifluoromethyl)benzoic acid
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4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide
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4-(2-sulfamoylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62711833
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
2-[4-dodecyl-3-(trifluoromethyl)anilino]acetic acid
CID 139931890
4-(2-methylsulfanylethylamino)-2-(trifluoromethyl)benzoic acid
CID 63962749
2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide
CID 47077590
4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide
CID 80698083
4-[[2-(dimethylamino)-2-methylpropyl]amino]-2-(trifluoromethyl)benzoic acid
CID 62711723

Frequently Asked Questions

What is the IUPAC name of 2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid (CID 43320600) is 2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid is NC(=O)c1ccc(NCC(=O)O)cc1C(F)(F)F.
What is the InChIKey of 2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid?
The InChIKey is FGWNZZNLILZGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)7-3-5(15-4-8(16)17)1-2-6(7)9(14)18/h1-3,15H,4H2,(H2,14,18)(H,16,17).
What are the key properties of 2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid?
2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid has a molecular weight of 262.19 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 43320600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).