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

C25H17F3N2O2 — CID 4664621

IUPAC5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C25H17F3N2O2/c26-25(27,28)20-13-11-19(12-14-20)23(18-9-5-2-6-10-18)29-30-24(31)22-16-15-21(32-22)17-7-3-1-4-8-17/h1-16H,(H,30,31)
InChIKeyZTVGEDLLUACYNK-UHFFFAOYSA-N
MW434.42 g/mol
LogP6.15
Rot. Bonds5

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

5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide (PubChem CID 4664621) has the molecular formula C25H17F3N2O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide
PubChem CID4664621
Molecular FormulaC25H17F3N2O2
Molecular Weight434.42 g/mol
Exact Mass434.12
IUPAC Name5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C25H17F3N2O2/c26-25(27,28)20-13-11-19(12-14-20)23(18-9-5-2-6-10-18)29-30-24(31)22-16-15-21(32-22)17-7-3-1-4-8-17/h1-16H,(H,30,31)
InChIKeyZTVGEDLLUACYNK-UHFFFAOYSA-N
XLogP6.15
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide
CID 4281908
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
CID 129248931
5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 7962022
1-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871683
CID 161391832
CID 161391832
N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82121169
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carboxylic acid
CID 960607
5-[4-(trifluoromethyl)phenyl]furan-2-carbothioamide
CID 94280906
(4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid
CID 6380098
N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 3966272

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide?
The IUPAC name of 5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide (CID 4664621) is 5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide?
The canonical SMILES for 5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide is O=C(NN=C(c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide?
The InChIKey is ZTVGEDLLUACYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2O2/c26-25(27,28)20-13-11-19(12-14-20)23(18-9-5-2-6-10-18)29-30-24(31)22-16-15-21(32-22)17-7-3-1-4-8-17/h1-16H,(H,30,31).
What are the key properties of 5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide?
5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide is sourced from PubChem (CID 4664621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).