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

C21H22FN5O3 — CID 58816373

IUPAC2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1)C1CCCCC1
InChIInChI=1S/C21H22FN5O3/c1-26(15-5-3-2-4-6-15)21(29)19-10-9-18(30-19)20(28)25-14-7-8-17(16(22)11-14)27-13-23-12-24-27/h7-13,15H,2-6H2,1H3,(H,25,28)
InChIKeyRHUIOUAWZLEWND-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.66
Rot. Bonds5

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

2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide (PubChem CID 58816373) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide
PubChem CID58816373
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1)C1CCCCC1
InChIInChI=1S/C21H22FN5O3/c1-26(15-5-3-2-4-6-15)21(29)19-10-9-18(30-19)20(28)25-14-7-8-17(16(22)11-14)27-13-23-12-24-27/h7-13,15H,2-6H2,1H3,(H,25,28)
InChIKeyRHUIOUAWZLEWND-UHFFFAOYSA-N
XLogP3.66
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
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
US10577360, Example 48
CID 132035900
5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 25163058
N-(2-fluorophenyl)-N-[3-methyl-1-[2-(tetrazol-1-yl)ethyl]piperidin-4-yl]furan-2-carboxamide
CID 44329338
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
N-(4-fluorophenyl)-1-[5-(1H-imidazol-1-ylmethyl)-2-furoyl]-3-piperidinamine
CID 56891684
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-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide?
The IUPAC name of 2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide (CID 58816373) is 2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide.
What is the SMILES notation for 2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide?
The canonical SMILES for 2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide is CN(C(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)o1)C1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide?
The InChIKey is RHUIOUAWZLEWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-26(15-5-3-2-4-6-15)21(29)19-10-9-18(30-19)20(28)25-14-7-8-17(16(22)11-14)27-13-23-12-24-27/h7-13,15H,2-6H2,1H3,(H,25,28).
What are the key properties of 2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide?
2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide has a molecular weight of 411.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-methylfuran-2,5-dicarboxamide is sourced from PubChem (CID 58816373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).