N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide

C16H13FN4O2 — CID 154801343

IUPACN-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3ccccc3F)nn2)c1
InChIInChI=1S/C16H13FN4O2/c1-23-12-6-4-5-11(9-12)21-10-15(19-20-21)16(22)18-14-8-3-2-7-13(14)17/h2-10H,1H3,(H,18,22)
InChIKeyMUDMSHAXHDRNMU-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.67
Rot. Bonds4

About N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide

N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide (PubChem CID 154801343) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide
PubChem CID154801343
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC NameN-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3ccccc3F)nn2)c1
InChIInChI=1S/C16H13FN4O2/c1-23-12-6-4-5-11(9-12)21-10-15(19-20-21)16(22)18-14-8-3-2-7-13(14)17/h2-10H,1H3,(H,18,22)
InChIKeyMUDMSHAXHDRNMU-UHFFFAOYSA-N
XLogP2.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38953471
2,2,2-trifluoro-1-[1-(3-methoxyphenyl)triazol-4-yl]ethanone
CID 62580870
N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154797601
N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686504
1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide
CID 90299379
6-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100738
N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide
CID 39090650
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
lithium;ethyl 1-(3-methoxyphenyl)triazole-4-carboxylate;1-(3-methoxyphenyl)triazole-4-carboxylic acid;hydroxide
CID 159859815
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenyltriazole-4-carboxamide
CID 43066318
N-(4-chloro-2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38955384
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide (CID 154801343) is N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide is COc1cccc(-n2cc(C(=O)Nc3ccccc3F)nn2)c1.
What is the InChIKey of N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is MUDMSHAXHDRNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-23-12-6-4-5-11(9-12)21-10-15(19-20-21)16(22)18-14-8-3-2-7-13(14)17/h2-10H,1H3,(H,18,22).
What are the key properties of N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide?
N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 154801343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).