N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide

C20H14F3N3O2 — CID 133373372

IUPACN-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)15-5-8-17(14(10-15)11-24)25-12-13-3-6-16(7-4-13)26-19(27)18-2-1-9-28-18/h1-10,25H,12H2,(H,26,27)
InChIKeyBRRAVPDQURWONM-UHFFFAOYSA-N
MW385.35 g/mol
LogP5.03
Rot. Bonds5

About N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide

N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide (PubChem CID 133373372) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide
PubChem CID133373372
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC NameN-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)15-5-8-17(14(10-15)11-24)25-12-13-3-6-16(7-4-13)26-19(27)18-2-1-9-28-18/h1-10,25H,12H2,(H,26,27)
InChIKeyBRRAVPDQURWONM-UHFFFAOYSA-N
XLogP5.03
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.35
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 115911287
N-[4-[[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]methyl]phenyl]furan-2-carboxamide
CID 55505726
1-[3-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]-N-methylmethanesulfonamide
CID 133360550
N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide
CID 55776313
2-(benzylamino)-5-[4-(trifluoromethyl)phenyl]benzonitrile
CID 69108068
2-(benzylamino)-4-(trifluoromethyl)benzonitrile
CID 155452882
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[[N-ethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111267559
4-[[3-(trifluoromethyl)phenyl]methylamino]benzene-1,3-dicarbonitrile
CID 174921966
2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
CID 79530106
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide (CID 133373372) is N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide is N#Cc1cc(C(F)(F)F)ccc1NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is BRRAVPDQURWONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-20(22,23)15-5-8-17(14(10-15)11-24)25-12-13-3-6-16(7-4-13)26-19(27)18-2-1-9-28-18/h1-10,25H,12H2,(H,26,27).
What are the key properties of N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 133373372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).