2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide

C20H16FN3O5 — CID 126227166

IUPAC2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H16FN3O5/c1-28-18-8-6-15(24(26)27)11-17(18)19-9-7-16(29-19)12-22-23-20(25)10-13-2-4-14(21)5-3-13/h2-9,11-12H,10H2,1H3,(H,23,25)/b22-12+
InChIKeyIQRPBJJIMYIFPE-WSDLNYQXSA-N
MW397.36 g/mol
LogP3.70
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide

2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 126227166) has the molecular formula C20H16FN3O5 and a molecular weight of 397.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID126227166
Molecular FormulaC20H16FN3O5
Molecular Weight397.36 g/mol
Exact Mass397.11
IUPAC Name2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H16FN3O5/c1-28-18-8-6-15(24(26)27)11-17(18)19-9-7-16(29-19)12-22-23-20(25)10-13-2-4-14(21)5-3-13/h2-9,11-12H,10H2,1H3,(H,23,25)/b22-12+
InChIKeyIQRPBJJIMYIFPE-WSDLNYQXSA-N
XLogP3.70
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
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

N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364062
N-[2-[2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3528949
2-(4-methoxyphenyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6897039
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 886623
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883538
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94829872
2-methoxy-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6298177
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126364328
methyl 2-[5-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126254581
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5333773
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126249967

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide (CID 126227166) is 2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide is COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is IQRPBJJIMYIFPE-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H16FN3O5/c1-28-18-8-6-15(24(26)27)11-17(18)19-9-7-16(29-19)12-22-23-20(25)10-13-2-4-14(21)5-3-13/h2-9,11-12H,10H2,1H3,(H,23,25)/b22-12+.
What are the key properties of 2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 397.36 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 126227166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).