4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide

C20H15FN4O5 — CID 5235134

IUPAC4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)cc1
InChIInChI=1S/C20H15FN4O5/c1-12(26)23-15-5-2-13(3-6-15)20(27)24-22-11-16-7-9-19(30-16)14-4-8-17(21)18(10-14)25(28)29/h2-11H,1H3,(H,23,26)(H,24,27)
InChIKeyYUTUJZZEUMVZHF-UHFFFAOYSA-N
MW410.36 g/mol
LogP3.72
Rot. Bonds6

About 4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide

4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 5235134) has the molecular formula C20H15FN4O5 and a molecular weight of 410.36 g/mol. Its IUPAC name is 4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID5235134
Molecular FormulaC20H15FN4O5
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC Name4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)cc1
InChIInChI=1S/C20H15FN4O5/c1-12(26)23-15-5-2-13(3-6-15)20(27)24-22-11-16-7-9-19(30-16)14-4-8-17(21)18(10-14)25(28)29/h2-11H,1H3,(H,23,26)(H,24,27)
InChIKeyYUTUJZZEUMVZHF-UHFFFAOYSA-N
XLogP3.72
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[(Z)-[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6309382
N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 4589073
4-acetamido-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 3883202
4-acetamido-N-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5236886
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883784
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
CID 5497492
3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 3917613
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126347116
N,N'-bis[(Z)-[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 135708521
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215771
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 9073127

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide (CID 5235134) is 4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)NN=Cc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)cc1.
What is the InChIKey of 4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is YUTUJZZEUMVZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O5/c1-12(26)23-15-5-2-13(3-6-15)20(27)24-22-11-16-7-9-19(30-16)14-4-8-17(21)18(10-14)25(28)29/h2-11H,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 410.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 5235134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).