3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid

C14H8F3NO3 — CID 63183542

IUPAC3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H8F3NO3/c15-10-5-8(6-11(16)12(10)17)13(19)18-9-3-1-2-7(4-9)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyRGGYZMBXAKCQNA-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.05
Rot. Bonds3

About 3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid

3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid (PubChem CID 63183542) has the molecular formula C14H8F3NO3 and a molecular weight of 295.22 g/mol. Its IUPAC name is 3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
PubChem CID63183542
Molecular FormulaC14H8F3NO3
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H8F3NO3/c15-10-5-8(6-11(16)12(10)17)13(19)18-9-3-1-2-7(4-9)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyRGGYZMBXAKCQNA-UHFFFAOYSA-N
XLogP3.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3,6-trifluorobenzoyl)amino]benzoic acid;hydrochloride
CID 67278416
3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid
CID 82798153
3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 60657143
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674682
3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43238382
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782946
3-[[4-(2,2-dimethylpropanoyl)benzoyl]amino]benzoic acid
CID 18949195
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828
3-[(2,3,4-trifluorophenyl)carbamoylamino]benzoic acid
CID 108892424

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid (CID 63183542) is 3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of 3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid?
The InChIKey is RGGYZMBXAKCQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3/c15-10-5-8(6-11(16)12(10)17)13(19)18-9-3-1-2-7(4-9)14(20)21/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid?
3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid has a molecular weight of 295.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 63183542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).