N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide

C15H12F3N3O3 — CID 840435

IUPACN-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccco1)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3O3/c1-9(20-21-13(22)12-3-2-8-24-12)10-4-6-11(7-5-10)19-14(23)15(16,17)18/h2-8H,1H3,(H,19,23)(H,21,22)
InChIKeyYSKCMFKMMQTNNQ-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.93
Rot. Bonds4

About N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide

N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide (PubChem CID 840435) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
PubChem CID840435
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC NameN-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccco1)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3O3/c1-9(20-21-13(22)12-3-2-8-24-12)10-4-6-11(7-5-10)19-14(23)15(16,17)18/h2-8H,1H3,(H,19,23)(H,21,22)
InChIKeyYSKCMFKMMQTNNQ-UHFFFAOYSA-N
XLogP2.93
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6949118
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 5412073
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
4-tert-butyl-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4061369
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
4-bromo-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 3413334
5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
CID 7261370
N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 3270950
N-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 40565634
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide (CID 840435) is N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide is CC(=NNC(=O)c1ccco1)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
The InChIKey is YSKCMFKMMQTNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c1-9(20-21-13(22)12-3-2-8-24-12)10-4-6-11(7-5-10)19-14(23)15(16,17)18/h2-8H,1H3,(H,19,23)(H,21,22).
What are the key properties of N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide has a molecular weight of 339.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 840435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).