4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide

C19H12FN3O2S — CID 1244627

IUPAC4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
SMILESN#Cc1ccc(C(=O)NN=Cc2ccc(Sc3ccccc3)o2)c(F)c1
InChIInChI=1S/C19H12FN3O2S/c20-17-10-13(11-21)6-8-16(17)19(24)23-22-12-14-7-9-18(25-14)26-15-4-2-1-3-5-15/h1-10,12H,(H,23,24)
InChIKeyBKYXTHWHQNSPKN-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.21
Rot. Bonds5

About 4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide

4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide (PubChem CID 1244627) has the molecular formula C19H12FN3O2S and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
PubChem CID1244627
Molecular FormulaC19H12FN3O2S
Molecular Weight365.39 g/mol
Exact Mass365.06
IUPAC Name4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
SMILESN#Cc1ccc(C(=O)NN=Cc2ccc(Sc3ccccc3)o2)c(F)c1
InChIInChI=1S/C19H12FN3O2S/c20-17-10-13(11-21)6-8-16(17)19(24)23-22-12-14-7-9-18(25-14)26-15-4-2-1-3-5-15/h1-10,12H,(H,23,24)
InChIKeyBKYXTHWHQNSPKN-UHFFFAOYSA-N
XLogP4.21
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide;hydrochloride
CID 163326645
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 6059252
[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
CID 5426367
N-[(Z)-[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide
CID 5457788
2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 126006396
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
4-cyano-2-fluoro-N-[(E)-[1-(2-methylphenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 25251187
1-benzyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 1209462
1-benzyl-3-[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 6875381
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
CID 126020827
4-cyano-2-fluoro-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
CID 7341169

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide (CID 1244627) is 4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide is N#Cc1ccc(C(=O)NN=Cc2ccc(Sc3ccccc3)o2)c(F)c1.
What is the InChIKey of 4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is BKYXTHWHQNSPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2S/c20-17-10-13(11-21)6-8-16(17)19(24)23-22-12-14-7-9-18(25-14)26-15-4-2-1-3-5-15/h1-10,12H,(H,23,24).
What are the key properties of 4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide?
4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 365.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 1244627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).