1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide

C17H15BrN4O2 — CID 39089231

IUPAC1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(-c3ccccc3Br)nn2)cc1
InChIInChI=1S/C17H15BrN4O2/c1-24-13-8-6-12(7-9-13)10-19-17(23)15-11-22(21-20-15)16-5-3-2-4-14(16)18/h2-9,11H,10H2,1H3,(H,19,23)
InChIKeyUJOUUCIQKJOBHO-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide

1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 39089231) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID39089231
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(-c3ccccc3Br)nn2)cc1
InChIInChI=1S/C17H15BrN4O2/c1-24-13-8-6-12(7-9-13)10-19-17(23)15-11-22(21-20-15)16-5-3-2-4-14(16)18/h2-9,11H,10H2,1H3,(H,19,23)
InChIKeyUJOUUCIQKJOBHO-UHFFFAOYSA-N
XLogP2.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
methyl 4-[[[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]methyl]benzoate
CID 30886971
methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate
CID 175662114
N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide
CID 13413922
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 53365318
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 42464619
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 146064976
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 23610505

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide (CID 39089231) is 1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide is COc1ccc(CNC(=O)c2cn(-c3ccccc3Br)nn2)cc1.
What is the InChIKey of 1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is UJOUUCIQKJOBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-24-13-8-6-12(7-9-13)10-19-17(23)15-11-22(21-20-15)16-5-3-2-4-14(16)18/h2-9,11H,10H2,1H3,(H,19,23).
What are the key properties of 1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 39089231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).