3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide

C13H11Br2NOS — CID 113460610

IUPAC3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCc2sccc2Br)c1
InChIInChI=1S/C13H11Br2NOS/c1-8-4-9(6-10(14)5-8)13(17)16-7-12-11(15)2-3-18-12/h2-6H,7H2,1H3,(H,16,17)
InChIKeyLXIYYNUOCYZLMH-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.51
Rot. Bonds3

About 3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide

3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide (PubChem CID 113460610) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
PubChem CID113460610
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCc2sccc2Br)c1
InChIInChI=1S/C13H11Br2NOS/c1-8-4-9(6-10(14)5-8)13(17)16-7-12-11(15)2-3-18-12/h2-6H,7H2,1H3,(H,16,17)
InChIKeyLXIYYNUOCYZLMH-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

3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
CID 106899931
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 78985898
N-[(3-bromothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434715
N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide
CID 78985877
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide
CID 104852791
N-[(3-bromothiophen-2-yl)methyl]-2,4-difluoro-5-methylbenzamide
CID 112696487
N-[(3-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49164156
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide
CID 78986020
N-[[4-(2-aminoethyl)phenyl]methyl]-3-bromo-5-methylbenzamide
CID 115999593
5-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-iodobenzamide
CID 114033134

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide (CID 113460610) is 3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NCc2sccc2Br)c1.
What is the InChIKey of 3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide?
The InChIKey is LXIYYNUOCYZLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-8-4-9(6-10(14)5-8)13(17)16-7-12-11(15)2-3-18-12/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide?
3-bromo-N-[(3-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 3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide is sourced from PubChem (CID 113460610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).