N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

C21H17FN4O2 — CID 42692940

IUPACN-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCc3cccc(F)c3)nc2-c2ccoc2)cc1
InChIInChI=1S/C21H17FN4O2/c1-14-5-7-18(8-6-14)26-20(16-9-10-28-13-16)24-19(25-26)21(27)23-12-15-3-2-4-17(22)11-15/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyLNTWVSFPUYNCJQ-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.90
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692940) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42692940
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCc3cccc(F)c3)nc2-c2ccoc2)cc1
InChIInChI=1S/C21H17FN4O2/c1-14-5-7-18(8-6-14)26-20(16-9-10-28-13-16)24-19(25-26)21(27)23-12-15-3-2-4-17(22)11-15/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyLNTWVSFPUYNCJQ-UHFFFAOYSA-N
XLogP3.90
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692938
N-(1-benzylpiperidin-4-yl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692911
methyl 1-(4-fluorophenyl)-5-(furan-3-yl)-1,2,4-triazole-3-carboxylate
CID 56668425
N-[(3,5-difluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 155807409
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 17052400
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 9404180
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-pyridinyl]acetamide
CID 163790106
5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472
5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 17052447
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 42692940) is N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NCc3cccc(F)c3)nc2-c2ccoc2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is LNTWVSFPUYNCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-14-5-7-18(8-6-14)26-20(16-9-10-28-13-16)24-19(25-26)21(27)23-12-15-3-2-4-17(22)11-15/h2-11,13H,12H2,1H3,(H,23,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).