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

C13H11Br2NOS — CID 9108801

IUPAC3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C13H11Br2NOS/c1-16(8-11-5-6-12(15)18-11)13(17)9-3-2-4-10(14)7-9/h2-7H,8H2,1H3
InChIKeyAFGJMHPPYDPVDC-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.55
Rot. Bonds3

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

3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide (PubChem CID 9108801) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
PubChem CID9108801
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C13H11Br2NOS/c1-16(8-11-5-6-12(15)18-11)13(17)9-3-2-4-10(14)7-9/h2-7H,8H2,1H3
InChIKeyAFGJMHPPYDPVDC-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.11
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 27839410
N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
CID 9108829
N-[3-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839457
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 78792336
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
CID 43458071
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 32776893

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide (CID 9108801) is 3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide is CN(Cc1ccc(Br)s1)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide?
The InChIKey is AFGJMHPPYDPVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-16(8-11-5-6-12(15)18-11)13(17)9-3-2-4-10(14)7-9/h2-7H,8H2,1H3.
What are the key properties of 3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide?
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide has a molecular weight of 389.11 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 9108801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).