4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide

C13H11Br2NO2S — CID 47340324

IUPAC4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H11Br2NO2S/c1-16(7-8-3-2-4-9(17)5-8)13(18)11-6-10(14)12(15)19-11/h2-6,17H,7H2,1H3
InChIKeyKPSDYTVZNPSXAO-UHFFFAOYSA-N
MW405.11 g/mol
LogP4.25
Rot. Bonds3

About 4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide

4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 47340324) has the molecular formula C13H11Br2NO2S and a molecular weight of 405.11 g/mol. Its IUPAC name is 4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID47340324
Molecular FormulaC13H11Br2NO2S
Molecular Weight405.11 g/mol
Exact Mass402.89
IUPAC Name4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H11Br2NO2S/c1-16(7-8-3-2-4-9(17)5-8)13(18)11-6-10(14)12(15)19-11/h2-6,17H,7H2,1H3
InChIKeyKPSDYTVZNPSXAO-UHFFFAOYSA-N
XLogP4.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.11
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47180850
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934042
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715
6-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464110
4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide
CID 47379906

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 47340324) is 4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is KPSDYTVZNPSXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2S/c1-16(7-8-3-2-4-9(17)5-8)13(18)11-6-10(14)12(15)19-11/h2-6,17H,7H2,1H3.
What are the key properties of 4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 405.11 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 47340324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).