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

C13H10Br3NOS — CID 78906851

IUPAC4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br3NOS/c1-17(7-8-4-2-3-5-9(8)14)13(18)11-6-10(15)12(16)19-11/h2-6H,7H2,1H3
InChIKeySZNNXCLBOPCOIZ-UHFFFAOYSA-N
MW468.01 g/mol
LogP5.31
Rot. Bonds3

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

4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 78906851) has the molecular formula C13H10Br3NOS and a molecular weight of 468.01 g/mol. Its IUPAC name is 4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID78906851
Molecular FormulaC13H10Br3NOS
Molecular Weight468.01 g/mol
Exact Mass464.80
IUPAC Name4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br3NOS/c1-17(7-8-4-2-3-5-9(8)14)13(18)11-6-10(15)12(16)19-11/h2-6H,7H2,1H3
InChIKeySZNNXCLBOPCOIZ-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.01
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436
N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 60630938
N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732717
N-[(2-bromophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024313
4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide
CID 47379906
4,5-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47180850
4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47340324
4,5-dibromo-N-ethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 112725701
4,5-dibromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
CID 2494689
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide (CID 78906851) is 4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1ccccc1Br)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is SZNNXCLBOPCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br3NOS/c1-17(7-8-4-2-3-5-9(8)14)13(18)11-6-10(15)12(16)19-11/h2-6H,7H2,1H3.
What are the key properties of 4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide?
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 468.01 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 78906851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).