2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide

C13H11Br2NOS — CID 80979827

IUPAC2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCc2ccc(Br)s2)c1
InChIInChI=1S/C13H11Br2NOS/c1-8-2-4-11(14)10(6-8)13(17)16-7-9-3-5-12(15)18-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyVAIXTJRYLKMTIK-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.51
Rot. Bonds3

About 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide

2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide (PubChem CID 80979827) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
PubChem CID80979827
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCc2ccc(Br)s2)c1
InChIInChI=1S/C13H11Br2NOS/c1-8-2-4-11(14)10(6-8)13(17)16-7-9-3-5-12(15)18-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyVAIXTJRYLKMTIK-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.11
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
CID 103773107
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 65307761
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107030605
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227142
2-bromo-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 113341004
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide
CID 103731815
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2-bromo-N-(2,2-difluoroethyl)-5-methylbenzamide
CID 81002658
2-bromo-N-(2-chloropropyl)-5-methylbenzamide
CID 114296737

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide (CID 80979827) is 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NCc2ccc(Br)s2)c1.
What is the InChIKey of 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide?
The InChIKey is VAIXTJRYLKMTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-8-2-4-11(14)10(6-8)13(17)16-7-9-3-5-12(15)18-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide?
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide has a molecular weight of 389.11 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide is sourced from PubChem (CID 80979827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).