1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide

C19H19BrN4O2 — CID 46858206

IUPAC1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C19H19BrN4O2/c1-3-26-17-7-5-4-6-14(17)12-21-19(25)18-13(2)24(23-22-18)16-10-8-15(20)9-11-16/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKeyVRWHTKXNQJPKCY-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.67
Rot. Bonds6

About 1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide

1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide (PubChem CID 46858206) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
PubChem CID46858206
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C19H19BrN4O2/c1-3-26-17-7-5-4-6-14(17)12-21-19(25)18-13(2)24(23-22-18)16-10-8-15(20)9-11-16/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKeyVRWHTKXNQJPKCY-UHFFFAOYSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858203
1-(4-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858245
1-(4-bromophenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858215
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2150357
N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123572
1-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858211
1-(3-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-N,5-dimethyltriazole-4-carboxamide
CID 55957403
1-(4-bromophenyl)-5-methyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 46858232
1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide
CID 55806463
N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 127046483
1-(4-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858312
N-benzyl-5-methyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17015548

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide (CID 46858206) is 1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide is CCOc1ccccc1CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
The InChIKey is VRWHTKXNQJPKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-3-26-17-7-5-4-6-14(17)12-21-19(25)18-13(2)24(23-22-18)16-10-8-15(20)9-11-16/h4-11H,3,12H2,1-2H3,(H,21,25).
What are the key properties of 1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 46858206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).