N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide

C16H11FN2O3 — CID 126041118

IUPACN-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(F)cc2)o1)c1ccco1
InChIInChI=1S/C16H11FN2O3/c17-12-5-3-11(4-6-12)14-8-7-13(22-14)10-18-19-16(20)15-2-1-9-21-15/h1-10H,(H,19,20)/b18-10-
InChIKeyQSVZUDUHGIBWEA-ZDLGFXPLSA-N
MW298.27 g/mol
LogP3.44
Rot. Bonds4

About N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide

N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide (PubChem CID 126041118) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
PubChem CID126041118
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC NameN-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(F)cc2)o1)c1ccco1
InChIInChI=1S/C16H11FN2O3/c17-12-5-3-11(4-6-12)14-8-7-13(22-14)10-18-19-16(20)15-2-1-9-21-15/h1-10H,(H,19,20)/b18-10-
InChIKeyQSVZUDUHGIBWEA-ZDLGFXPLSA-N
XLogP3.44
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.44
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

N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 29227500
N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide
CID 126207531
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
2-[5-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5427044
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3439847
5-chloro-N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126022126
N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 40713922
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3877288
5-ethoxy-N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126194311
2-chloro-5-[5-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5445831
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide (CID 126041118) is N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide is O=C(N/N=C\c1ccc(-c2ccc(F)cc2)o1)c1ccco1.
What is the InChIKey of N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is QSVZUDUHGIBWEA-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-12-5-3-11(4-6-12)14-8-7-13(22-14)10-18-19-16(20)15-2-1-9-21-15/h1-10H,(H,19,20)/b18-10-.
What are the key properties of N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide?
N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 126041118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).