2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide

C20H14F4N2O — CID 10547402

IUPAC2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(Nc1ccccc1)c1cccc(Nc2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C20H14F4N2O/c21-18-16(19(27)26-14-7-2-1-3-8-14)10-5-11-17(18)25-15-9-4-6-13(12-15)20(22,23)24/h1-12,25H,(H,26,27)
InChIKeyMBWNWSIMBIWRCY-UHFFFAOYSA-N
MW374.34 g/mol
LogP5.84
Rot. Bonds4

About 2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide

2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide (PubChem CID 10547402) has the molecular formula C20H14F4N2O and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
PubChem CID10547402
Molecular FormulaC20H14F4N2O
Molecular Weight374.34 g/mol
Exact Mass374.10
IUPAC Name2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(Nc1ccccc1)c1cccc(Nc2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C20H14F4N2O/c21-18-16(19(27)26-14-7-2-1-3-8-14)10-5-11-17(18)25-15-9-4-6-13(12-15)20(22,23)24/h1-12,25H,(H,26,27)
InChIKeyMBWNWSIMBIWRCY-UHFFFAOYSA-N
XLogP5.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.34
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 21179492
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
2-[4-(difluoromethylsulfanyl)anilino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2321982
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of 2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide (CID 10547402) is 2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for 2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for 2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide is O=C(Nc1ccccc1)c1cccc(Nc2cccc(C(F)(F)F)c2)c1F.
What is the InChIKey of 2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide?
The InChIKey is MBWNWSIMBIWRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O/c21-18-16(19(27)26-14-7-2-1-3-8-14)10-5-11-17(18)25-15-9-4-6-13(12-15)20(22,23)24/h1-12,25H,(H,26,27).
What are the key properties of 2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide?
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide has a molecular weight of 374.34 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 10547402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).