4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide

C13H11Br2NOS — CID 47291588

IUPAC4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C13H11Br2NOS/c1-8-4-9(14)2-3-12(8)13(17)16-6-11-5-10(15)7-18-11/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyQONHOLAQXSKQLU-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.51
Rot. Bonds3

About 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide (PubChem CID 47291588) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
PubChem CID47291588
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C13H11Br2NOS/c1-8-4-9(14)2-3-12(8)13(17)16-6-11-5-10(15)7-18-11/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyQONHOLAQXSKQLU-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-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide
CID 103777410
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 60793136
4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 107233720
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829795
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
4-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 61287065
N-[(4-bromothiophen-2-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 60794991
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
4-bromo-N-[(4-carbamothioylphenyl)methyl]-2-methylbenzamide
CID 62310631
N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81245584

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide?
The IUPAC name of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide (CID 47291588) is 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NCc1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide?
The InChIKey is QONHOLAQXSKQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-8-4-9(14)2-3-12(8)13(17)16-6-11-5-10(15)7-18-11/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide?
4-bromo-N-[(4-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 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 47291588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).