5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide

C18H11F3N2O4 — CID 7962022

IUPAC5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H11F3N2O4/c19-18(20,21)12-3-5-13(6-4-12)22-17(24)16-10-9-15(27-16)11-1-7-14(8-2-11)23(25)26/h1-10H,(H,22,24)
InChIKeyZCCUCQAAZSITEZ-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.13
Rot. Bonds4

About 5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide

5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 7962022) has the molecular formula C18H11F3N2O4 and a molecular weight of 376.29 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID7962022
Molecular FormulaC18H11F3N2O4
Molecular Weight376.29 g/mol
Exact Mass376.07
IUPAC Name5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H11F3N2O4/c19-18(20,21)12-3-5-13(6-4-12)22-17(24)16-10-9-15(27-16)11-1-7-14(8-2-11)23(25)26/h1-10H,(H,22,24)
InChIKeyZCCUCQAAZSITEZ-UHFFFAOYSA-N
XLogP5.13
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
CID 6129980
N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 3966272
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
5-(4-nitrophenyl)furan-2-carboxylate
CID 4616197
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 170761389
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 7962022) is 5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is ZCCUCQAAZSITEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O4/c19-18(20,21)12-3-5-13(6-4-12)22-17(24)16-10-9-15(27-16)11-1-7-14(8-2-11)23(25)26/h1-10H,(H,22,24).
What are the key properties of 5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 376.29 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 7962022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).