5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid

C15H10ClF3N2O3 — CID 20637249

IUPAC5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N2O3/c16-8-5-6-11(9(7-8)13(22)23)20-14(24)21-12-4-2-1-3-10(12)15(17,18)19/h1-7H,(H,22,23)(H2,20,21,24)
InChIKeyXGEPQVAUTWWADB-UHFFFAOYSA-N
MW358.70 g/mol
LogP4.70
Rot. Bonds3

About 5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid

5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid (PubChem CID 20637249) has the molecular formula C15H10ClF3N2O3 and a molecular weight of 358.70 g/mol. Its IUPAC name is 5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
PubChem CID20637249
Molecular FormulaC15H10ClF3N2O3
Molecular Weight358.70 g/mol
Exact Mass358.03
IUPAC Name5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10ClF3N2O3/c16-8-5-6-11(9(7-8)13(22)23)20-14(24)21-12-4-2-1-3-10(12)15(17,18)19/h1-7H,(H,22,23)(H2,20,21,24)
InChIKeyXGEPQVAUTWWADB-UHFFFAOYSA-N
XLogP4.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
The IUPAC name of 5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid (CID 20637249) is 5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid is O=C(Nc1ccc(Cl)cc1C(=O)O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
The InChIKey is XGEPQVAUTWWADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3/c16-8-5-6-11(9(7-8)13(22)23)20-14(24)21-12-4-2-1-3-10(12)15(17,18)19/h1-7H,(H,22,23)(H2,20,21,24).
What are the key properties of 5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid has a molecular weight of 358.70 g/mol, XLogP of 4.70, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid is sourced from PubChem (CID 20637249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).