2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide

C20H17FN4O4 — CID 126347116

IUPAC2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCc1ccc(-c2ccc(/C=N\NC(=O)CNc3ccc(F)cc3)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17FN4O4/c1-13-2-3-14(10-18(13)25(27)28)19-9-8-17(29-19)11-23-24-20(26)12-22-16-6-4-15(21)5-7-16/h2-11,22H,12H2,1H3,(H,24,26)/b23-11-
InChIKeyBYZDFPPECRDVBJ-KSEXSDGBSA-N
MW396.38 g/mol
LogP3.86
Rot. Bonds7

About 2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide

2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 126347116) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID126347116
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESCc1ccc(-c2ccc(/C=N\NC(=O)CNc3ccc(F)cc3)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17FN4O4/c1-13-2-3-14(10-18(13)25(27)28)19-9-8-17(29-19)11-23-24-20(26)12-22-16-6-4-15(21)5-7-16/h2-11,22H,12H2,1H3,(H,24,26)/b23-11-
InChIKeyBYZDFPPECRDVBJ-KSEXSDGBSA-N
XLogP3.86
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 53.86
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

2-(4-bromoanilino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126351374
1-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 1209484
N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 26368133
N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
CID 126183671
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylanilino)acetamide
CID 1118885
2-bromo-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 17245307
2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126369010
5-bromo-2-hydroxy-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 96869284
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5235134
4-acetamido-N-[(Z)-[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6309382
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143767

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide (CID 126347116) is 2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is Cc1ccc(-c2ccc(/C=N\NC(=O)CNc3ccc(F)cc3)o2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is BYZDFPPECRDVBJ-KSEXSDGBSA-N. The full InChI is InChI=1S/C20H17FN4O4/c1-13-2-3-14(10-18(13)25(27)28)19-9-8-17(29-19)11-23-24-20(26)12-22-16-6-4-15(21)5-7-16/h2-11,22H,12H2,1H3,(H,24,26)/b23-11-.
What are the key properties of 2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 396.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 126347116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).