3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid

C21H14F3NO3 — CID 151250225

IUPAC3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccccc2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H14F3NO3/c22-21(23,24)15-7-3-5-13(11-15)17-9-1-2-10-18(17)19(26)25-16-8-4-6-14(12-16)20(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyNSDYYBNTAAUPTM-UHFFFAOYSA-N
MW385.34 g/mol
LogP5.32
Rot. Bonds4

About 3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid

3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid (PubChem CID 151250225) has the molecular formula C21H14F3NO3 and a molecular weight of 385.34 g/mol. Its IUPAC name is 3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
PubChem CID151250225
Molecular FormulaC21H14F3NO3
Molecular Weight385.34 g/mol
Exact Mass385.09
IUPAC Name3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccccc2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H14F3NO3/c22-21(23,24)15-7-3-5-13(11-15)17-9-1-2-10-18(17)19(26)25-16-8-4-6-14(12-16)20(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyNSDYYBNTAAUPTM-UHFFFAOYSA-N
XLogP5.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.34
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
CID 71086455
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921
3-[(2-carbamoylbenzoyl)amino]benzoic acid
CID 4607393
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2-phenyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 31812149
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118043131
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid?
The IUPAC name of 3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid (CID 151250225) is 3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2ccccc2-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid?
The InChIKey is NSDYYBNTAAUPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO3/c22-21(23,24)15-7-3-5-13(11-15)17-9-1-2-10-18(17)19(26)25-16-8-4-6-14(12-16)20(27)28/h1-12H,(H,25,26)(H,27,28).
What are the key properties of 3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid?
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid has a molecular weight of 385.34 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid is sourced from PubChem (CID 151250225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).