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

C13H11Br2NOS — CID 65307761

IUPAC5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C13H11Br2NOS/c1-8-2-3-9(14)6-11(8)13(17)16-7-10-4-5-12(15)18-10/h2-6H,7H2,1H3,(H,16,17)
InChIKeyIZBXCCPQPLUYRV-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.51
Rot. Bonds3

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

5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide (PubChem CID 65307761) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
PubChem CID65307761
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C13H11Br2NOS/c1-8-2-3-9(14)6-11(8)13(17)16-7-10-4-5-12(15)18-10/h2-6H,7H2,1H3,(H,16,17)
InChIKeyIZBXCCPQPLUYRV-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

N-[(5-bromothiophen-2-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107030605
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 80979827
5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 79012096
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide
CID 107231263
N-[(5-bromothiophen-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79989768
5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600436
5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399961
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide (CID 65307761) is 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NCc1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide?
The InChIKey is IZBXCCPQPLUYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-8-2-3-9(14)6-11(8)13(17)16-7-10-4-5-12(15)18-10/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide?
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-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 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 65307761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).