5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide

C16H14FN5O3 — CID 58816364

IUPAC5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
SMILESCN(C)C(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1
InChIInChI=1S/C16H14FN5O3/c1-21(2)16(24)14-6-5-13(25-14)15(23)20-10-3-4-12(11(17)7-10)22-9-18-8-19-22/h3-9H,1-2H3,(H,20,23)
InChIKeyMDPFDANAMVYJMX-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.95
Rot. Bonds4

About 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide

5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide (PubChem CID 58816364) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
PubChem CID58816364
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Name5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
SMILESCN(C)C(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1
InChIInChI=1S/C16H14FN5O3/c1-21(2)16(24)14-6-5-13(25-14)15(23)20-10-3-4-12(11(17)7-10)22-9-18-8-19-22/h3-9H,1-2H3,(H,20,23)
InChIKeyMDPFDANAMVYJMX-UHFFFAOYSA-N
XLogP1.95
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide with MolForge

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-methyl-2-furamide
CID 24980893
N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 649855
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 703016
Furan-2-carboxylic acid (3-methyl-4-tetrazol-1-yl-phenyl)-amide
CID 858850
5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 25163058
5-methyl-N-(4-{[4-(1H-1,2,4-triazol-1-yl)butanoyl]amino}phenyl)-2-furamide
CID 50957482
5-Fluoro-3-methyl-N-[4-(1H-1,2,3,4-tetrazol-1-YL)phenyl]-1-benzofuran-2-carboxamide
CID 17011813
5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(4-methoxy-2-methylphenyl)furan-2,5-dicarboxamide
CID 16037029
5-N-[2-(dimethylamino)ethyl]-2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide
CID 58816257
2-N-[(1S)-1-cyclohexylethyl]-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]furan-2,5-dicarboxamide
CID 58816269
5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)furan-2,5-dicarboxamide
CID 58816277
2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-(1-methylpiperidin-4-yl)furan-2,5-dicarboxamide
CID 58816297

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
The IUPAC name of 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide (CID 58816364) is 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
The canonical SMILES for 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide is CN(C)C(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1.
What is the InChIKey of 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
The InChIKey is MDPFDANAMVYJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-21(2)16(24)14-6-5-13(25-14)15(23)20-10-3-4-12(11(17)7-10)22-9-18-8-19-22/h3-9H,1-2H3,(H,20,23).
What are the key properties of 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide has a molecular weight of 343.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide is sourced from PubChem (CID 58816364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).