N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide

C17H11F3N2O3 — CID 126207531

IUPACN-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccco1
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)13-5-2-1-4-12(13)14-8-7-11(25-14)10-21-22-16(23)15-6-3-9-24-15/h1-10H,(H,22,23)/b21-10+
InChIKeyLKPHPMLCMSDELN-UFFVCSGVSA-N
MW348.28 g/mol
LogP4.32
Rot. Bonds4

About N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide

N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide (PubChem CID 126207531) has the molecular formula C17H11F3N2O3 and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide
PubChem CID126207531
Molecular FormulaC17H11F3N2O3
Molecular Weight348.28 g/mol
Exact Mass348.07
IUPAC NameN-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccco1
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)13-5-2-1-4-12(13)14-8-7-11(25-14)10-21-22-16(23)15-6-3-9-24-15/h1-10H,(H,22,23)/b21-10+
InChIKeyLKPHPMLCMSDELN-UFFVCSGVSA-N
XLogP4.32
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.32
H-Bond Donors ≤ 51
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

[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
CID 126206866
2-[5-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5427044
N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 126041118
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 29227500
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
2-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]guanidine;hydrochloride
CID 44542327
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50883717
2-[5-[(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 921616
2-[5-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5419728
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide
CID 50855634

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide (CID 126207531) is N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccco1.
What is the InChIKey of N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is LKPHPMLCMSDELN-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H11F3N2O3/c18-17(19,20)13-5-2-1-4-12(13)14-8-7-11(25-14)10-21-22-16(23)15-6-3-9-24-15/h1-10H,(H,22,23)/b21-10+.
What are the key properties of N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide?
N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 126207531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).