2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid

C14H10F3NO3 — CID 89350076

IUPAC2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)O
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)21-10-4-1-8(2-5-10)9-3-6-12(18)11(7-9)13(19)20/h1-7H,18H2,(H,19,20)
InChIKeyNCVUEYGQLFTHDX-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.53
Rot. Bonds3

About 2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid

2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 89350076) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID89350076
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)O
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)21-10-4-1-8(2-5-10)9-3-6-12(18)11(7-9)13(19)20/h1-7H,18H2,(H,19,20)
InChIKeyNCVUEYGQLFTHDX-UHFFFAOYSA-N
XLogP3.53
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Anthranilic acid, N-(p-(difluoromethoxy)phenyl)-
CID 2398458
2-Amino-5-phenylbenzoic acid
CID 4352737
2-Amino-5-phenoxybenzoic acid
CID 14233437
Phenyl anthranilate
CID 66300
2-methyl-6-[4-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
CID 44530832
Anthranilic acid, N-(p-trifluoromethoxyphenyl)-
CID 3040097
2-amino-5-(trifluoromethoxy)benzoic Acid
CID 11085349
4-Amino-4'-fluoro[1,1'-biphenyl]-3-carboxylic acid
CID 20099720
4-Fluoro-2-[4-[3-(4-methoxyphenyl)propyl]anilino]benzoic acid
CID 44571287
5-Fluoro-2-[4-[3-(4-methoxyphenyl)propyl]anilino]benzoic acid
CID 44571288
5-(2-Methoxyphenyl)-2-(octylsulfonylamino)benzoic acid
CID 44608931
2-[[(E)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]benzoic acid
CID 67889827

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid (CID 89350076) is 2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid is Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is NCVUEYGQLFTHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)21-10-4-1-8(2-5-10)9-3-6-12(18)11(7-9)13(19)20/h1-7H,18H2,(H,19,20).
What are the key properties of 2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid?
2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid has a molecular weight of 297.23 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 89350076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).