5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid

C15H10F4N2O3 — CID 57011310

IUPAC5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C15H10F4N2O3/c16-9-3-6-12(11(7-9)13(22)23)21-14(24)20-10-4-1-8(2-5-10)15(17,18)19/h1-7H,(H,22,23)(H2,20,21,24)
InChIKeyKRPSLGFGJWAPAJ-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.19
Rot. Bonds3

About 5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid

5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid (PubChem CID 57011310) has the molecular formula C15H10F4N2O3 and a molecular weight of 342.25 g/mol. Its IUPAC name is 5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
PubChem CID57011310
Molecular FormulaC15H10F4N2O3
Molecular Weight342.25 g/mol
Exact Mass342.06
IUPAC Name5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C15H10F4N2O3/c16-9-3-6-12(11(7-9)13(22)23)21-14(24)20-10-4-1-8(2-5-10)15(17,18)19/h1-7H,(H,22,23)(H2,20,21,24)
InChIKeyKRPSLGFGJWAPAJ-UHFFFAOYSA-N
XLogP4.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 68919039
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814
5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid
CID 24711242
5-fluoro-2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
CID 61170206
2-(2-methylpropanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66270088
methyl 5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]indole-1-carboxylate
CID 175407578
2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
CID 16774686
5-fluoro-2-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 61185797
1-(2-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 97161924
2-(propylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269363

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid (CID 57011310) is 5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
The InChIKey is KRPSLGFGJWAPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O3/c16-9-3-6-12(11(7-9)13(22)23)21-14(24)20-10-4-1-8(2-5-10)15(17,18)19/h1-7H,(H,22,23)(H2,20,21,24).
What are the key properties of 5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid?
5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid has a molecular weight of 342.25 g/mol, XLogP of 4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid is sourced from PubChem (CID 57011310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).