1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide

C23H17BrN4O3 — CID 55883139

IUPAC1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1nnn(-c3cccc(Br)c3)c1C)oc1ccccc12
InChIInChI=1S/C23H17BrN4O3/c1-13-22(26-27-28(13)15-7-5-6-14(24)10-15)23(29)25-18-12-20-17(11-21(18)30-2)16-8-3-4-9-19(16)31-20/h3-12H,1-2H3,(H,25,29)
InChIKeyCJEDLXWCZKEWEX-UHFFFAOYSA-N
MW477.32 g/mol
LogP5.50
Rot. Bonds4

About 1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide

1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide (PubChem CID 55883139) has the molecular formula C23H17BrN4O3 and a molecular weight of 477.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide
PubChem CID55883139
Molecular FormulaC23H17BrN4O3
Molecular Weight477.32 g/mol
Exact Mass476.05
IUPAC Name1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1nnn(-c3cccc(Br)c3)c1C)oc1ccccc12
InChIInChI=1S/C23H17BrN4O3/c1-13-22(26-27-28(13)15-7-5-6-14(24)10-15)23(29)25-18-12-20-17(11-21(18)30-2)16-8-3-4-9-19(16)31-20/h3-12H,1-2H3,(H,25,29)
InChIKeyCJEDLXWCZKEWEX-UHFFFAOYSA-N
XLogP5.50
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.32
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 9098208
1-(3-bromophenyl)-N-(2,5-diethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55875233
1-(3-bromophenyl)-N-(2-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 60527351
1-(3-bromophenyl)-N-(3-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 99813025
1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide
CID 46263215
N-(2-methoxydibenzofuran-3-yl)-1-methyl-6-oxopyridine-2-carboxamide
CID 75390313
1-(3-bromophenyl)-N-tert-butyl-5-methyltriazole-4-carboxamide
CID 47299654
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 5144775
1-(3-bromophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)triazole-4-carboxamide
CID 55870754
N-(2-methoxydibenzofuran-3-yl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16514154
1-(3-bromophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide
CID 55870676

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide (CID 55883139) is 1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide is COc1cc2c(cc1NC(=O)c1nnn(-c3cccc(Br)c3)c1C)oc1ccccc12.
What is the InChIKey of 1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide?
The InChIKey is CJEDLXWCZKEWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN4O3/c1-13-22(26-27-28(13)15-7-5-6-14(24)10-15)23(29)25-18-12-20-17(11-21(18)30-2)16-8-3-4-9-19(16)31-20/h3-12H,1-2H3,(H,25,29).
What are the key properties of 1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide?
1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide has a molecular weight of 477.32 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(2-methoxydibenzofuran-3-yl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 55883139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).