1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide

C19H19FN4O2 — CID 171132681

IUPAC1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide
SMILESCOCc1cccc(NC(=O)c2nnn(-c3ccc(C)cc3F)c2C)c1
InChIInChI=1S/C19H19FN4O2/c1-12-7-8-17(16(20)9-12)24-13(2)18(22-23-24)19(25)21-15-6-4-5-14(10-15)11-26-3/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyPXLNEZSXQARRQE-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.42
Rot. Bonds5

About 1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide

1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide (PubChem CID 171132681) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide
PubChem CID171132681
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide
SMILESCOCc1cccc(NC(=O)c2nnn(-c3ccc(C)cc3F)c2C)c1
InChIInChI=1S/C19H19FN4O2/c1-12-7-8-17(16(20)9-12)24-13(2)18(22-23-24)19(25)21-15-6-4-5-14(10-15)11-26-3/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyPXLNEZSXQARRQE-UHFFFAOYSA-N
XLogP3.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 32638790
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CID 99696829
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
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N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
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CID 16651694
N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55873892
1-(2-fluoro-4-methylphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]triazole-4-carboxamide
CID 171132687
4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 63213049
2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide (CID 171132681) is 1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide is COCc1cccc(NC(=O)c2nnn(-c3ccc(C)cc3F)c2C)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide?
The InChIKey is PXLNEZSXQARRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12-7-8-17(16(20)9-12)24-13(2)18(22-23-24)19(25)21-15-6-4-5-14(10-15)11-26-3/h4-10H,11H2,1-3H3,(H,21,25).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide?
1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 171132681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).