3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide

C21H14F4N2O2 — CID 1207911

IUPAC3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
SMILESO=C(Nc1ccccc1NC(=O)c1cccc(F)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H14F4N2O2/c22-16-5-3-4-14(12-16)20(29)27-18-7-2-1-6-17(18)26-19(28)13-8-10-15(11-9-13)21(23,24)25/h1-12H,(H,26,28)(H,27,29)
InChIKeyIPJAEFNWLDKQOD-UHFFFAOYSA-N
MW402.35 g/mol
LogP5.35
Rot. Bonds4

About 3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide

3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide (PubChem CID 1207911) has the molecular formula C21H14F4N2O2 and a molecular weight of 402.35 g/mol. Its IUPAC name is 3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
PubChem CID1207911
Molecular FormulaC21H14F4N2O2
Molecular Weight402.35 g/mol
Exact Mass402.10
IUPAC Name3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
SMILESO=C(Nc1ccccc1NC(=O)c1cccc(F)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H14F4N2O2/c22-16-5-3-4-14(12-16)20(29)27-18-7-2-1-6-17(18)26-19(28)13-8-10-15(11-9-13)21(23,24)25/h1-12H,(H,26,28)(H,27,29)
InChIKeyIPJAEFNWLDKQOD-UHFFFAOYSA-N
XLogP5.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.35
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-fluoro-N-[2-[[2-[(3-fluorobenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
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1-N,3-N,5-N-tris[2-[4-(trifluoromethyl)anilino]phenyl]benzene-1,3,5-tricarboxamide
CID 90291612
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
CID 108922965
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
3-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
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CID 113034913

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide (CID 1207911) is 3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide is O=C(Nc1ccccc1NC(=O)c1cccc(F)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide?
The InChIKey is IPJAEFNWLDKQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2O2/c22-16-5-3-4-14(12-16)20(29)27-18-7-2-1-6-17(18)26-19(28)13-8-10-15(11-9-13)21(23,24)25/h1-12H,(H,26,28)(H,27,29).
What are the key properties of 3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide?
3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide has a molecular weight of 402.35 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 1207911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).