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

C15H12FN5O3 — CID 58816303

IUPAC2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1
InChIInChI=1S/C15H12FN5O3/c1-17-14(22)12-4-5-13(24-12)15(23)20-9-2-3-11(10(16)6-9)21-8-18-7-19-21/h2-8H,1H3,(H,17,22)(H,20,23)
InChIKeyFULKSXOXYZGNKV-UHFFFAOYSA-N
MW329.29 g/mol
LogP1.61
Rot. Bonds4

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

2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide (PubChem CID 58816303) has the molecular formula C15H12FN5O3 and a molecular weight of 329.29 g/mol. Its IUPAC name is 2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide
PubChem CID58816303
Molecular FormulaC15H12FN5O3
Molecular Weight329.29 g/mol
Exact Mass329.09
IUPAC Name2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1
InChIInChI=1S/C15H12FN5O3/c1-17-14(22)12-4-5-13(24-12)15(23)20-9-2-3-11(10(16)6-9)21-8-18-7-19-21/h2-8H,1H3,(H,17,22)(H,20,23)
InChIKeyFULKSXOXYZGNKV-UHFFFAOYSA-N
XLogP1.61
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
N-{[1-(3,4-Difluorophenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}furan-2-carboxamide
CID 27555010
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 2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide?
The IUPAC name of 2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide (CID 58816303) is 2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide?
The canonical SMILES for 2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide is CNC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1.
What is the InChIKey of 2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide?
The InChIKey is FULKSXOXYZGNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O3/c1-17-14(22)12-4-5-13(24-12)15(23)20-9-2-3-11(10(16)6-9)21-8-18-7-19-21/h2-8H,1H3,(H,17,22)(H,20,23).
What are the key properties of 2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide?
2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide has a molecular weight of 329.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-N-methylfuran-2,5-dicarboxamide is sourced from PubChem (CID 58816303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).