4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid

C16H12F3NO4 — CID 141401916

IUPAC4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO4/c1-24-13-7-2-9(15(22)23)8-12(13)14(21)20-11-5-3-10(4-6-11)16(17,18)19/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyNPICAKKFNNOVST-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.66
Rot. Bonds4

About 4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid

4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid (PubChem CID 141401916) has the molecular formula C16H12F3NO4 and a molecular weight of 339.27 g/mol. Its IUPAC name is 4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
PubChem CID141401916
Molecular FormulaC16H12F3NO4
Molecular Weight339.27 g/mol
Exact Mass339.07
IUPAC Name4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO4/c1-24-13-7-2-9(15(22)23)8-12(13)14(21)20-11-5-3-10(4-6-11)16(17,18)19/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyNPICAKKFNNOVST-UHFFFAOYSA-N
XLogP3.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-[[4-(trifluoromethyl)phenyl]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

1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
4-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzoyl]amino]benzoic acid
CID 138748534
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 147118620
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 23118707
N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide
CID 87097833

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid (CID 141401916) is 4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid is COc1ccc(C(=O)O)cc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is NPICAKKFNNOVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO4/c1-24-13-7-2-9(15(22)23)8-12(13)14(21)20-11-5-3-10(4-6-11)16(17,18)19/h2-8H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid?
4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 339.27 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 141401916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).