2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid

C20H13F3N2O4 — CID 2814191

IUPAC2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C20H13F3N2O4/c21-20(22,23)12-4-3-5-14(10-12)29-17-9-8-13(11-24-17)25-18(26)15-6-1-2-7-16(15)19(27)28/h1-11H,(H,25,26)(H,27,28)
InChIKeyAPBSWLNZEMLWTF-UHFFFAOYSA-N
MW402.33 g/mol
LogP4.84
Rot. Bonds5

About 2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid

2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid (PubChem CID 2814191) has the molecular formula C20H13F3N2O4 and a molecular weight of 402.33 g/mol. Its IUPAC name is 2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid
PubChem CID2814191
Molecular FormulaC20H13F3N2O4
Molecular Weight402.33 g/mol
Exact Mass402.08
IUPAC Name2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C20H13F3N2O4/c21-20(22,23)12-4-3-5-14(10-12)29-17-9-8-13(11-24-17)25-18(26)15-6-1-2-7-16(15)19(27)28/h1-11H,(H,25,26)(H,27,28)
InChIKeyAPBSWLNZEMLWTF-UHFFFAOYSA-N
XLogP4.84
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
(3-Phenoxybenzoylamino)benzoic acid deriv., 24b
CID 11464013
3-(4-hydroxyphenyl)-N-(6-methoxypyridin-3-yl)benzamide
CID 2463899
5-Oxo-5-({6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}amino)pentanoic acid
CID 2814195
N-(6-methoxypyridin-3-yl)-3-phenoxybenzamide
CID 16295584
3-(2-oxo-2H-chromen-3-yl)-N-(pyridin-3-yl)benzamide
CID 942378
4-phenoxy-N-3-pyridinylbenzamide
CID 837064
2-[Isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridyl]oxy]benzoic acid
CID 24862978
5-[(3-Isopropoxybenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571867
5-[(3-Isobutoxybenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571868
(S)-4-(((3-Fluoro-4-(trifluoromethoxy)phenyl)(3-fluoropyridin-2-yl)methyl)carbamoyl)benzoic Acid
CID 71144095
3-[(6-Phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 90253472

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid (CID 2814191) is 2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of 2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid?
The InChIKey is APBSWLNZEMLWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O4/c21-20(22,23)12-4-3-5-14(10-12)29-17-9-8-13(11-24-17)25-18(26)15-6-1-2-7-16(15)19(27)28/h1-11H,(H,25,26)(H,27,28).
What are the key properties of 2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid?
2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid has a molecular weight of 402.33 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzoic acid is sourced from PubChem (CID 2814191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).