N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide

C19H10F7NO2 — CID 54761409

IUPACN-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C19H10F7NO2/c20-12-6-11(18(21,22)23)7-13(8-12)27-17(28)14-9-15(10-4-2-1-3-5-10)29-16(14)19(24,25)26/h1-9H,(H,27,28)
InChIKeyROMUYAPSVMKEAQ-UHFFFAOYSA-N
MW417.28 g/mol
LogP6.38
Rot. Bonds3

About N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide

N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 54761409) has the molecular formula C19H10F7NO2 and a molecular weight of 417.28 g/mol. Its IUPAC name is N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID54761409
Molecular FormulaC19H10F7NO2
Molecular Weight417.28 g/mol
Exact Mass417.06
IUPAC NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C19H10F7NO2/c20-12-6-11(18(21,22)23)7-13(8-12)27-17(28)14-9-15(10-4-2-1-3-5-10)29-16(14)19(24,25)26/h1-9H,(H,27,28)
InChIKeyROMUYAPSVMKEAQ-UHFFFAOYSA-N
XLogP6.38
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.28
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide
CID 25101474
5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide
CID 141114523
2-fluoro-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide
CID 152665029
N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclohexa-1,5-dien-1-yl-2-(trifluoromethyl)furan-3-carboxamide
CID 135232999
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 2778104
3-phenyl-2-[3-[4-[[5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]phenoxy]propanoic acid
CID 11787069
N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 3966272
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034
2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 44547730
4-(hydroxyamino)-2-oxo-6-phenyl-N-[3-(trifluoromethyl)phenyl]pyran-3-carboxamide
CID 90467599
4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride
CID 87548006

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide (CID 54761409) is N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide is O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is ROMUYAPSVMKEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F7NO2/c20-12-6-11(18(21,22)23)7-13(8-12)27-17(28)14-9-15(10-4-2-1-3-5-10)29-16(14)19(24,25)26/h1-9H,(H,27,28).
What are the key properties of N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 417.28 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 54761409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).