4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide

C12H8Br2ClNOS — CID 81295807

IUPAC4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
SMILESO=C(NCc1cc(Br)cs1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H8Br2ClNOS/c13-8-4-9(18-6-8)5-16-12(17)7-1-2-10(14)11(15)3-7/h1-4,6H,5H2,(H,16,17)
InChIKeyYZNVWBHPMQUBHL-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.86
Rot. Bonds3

About 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide (PubChem CID 81295807) has the molecular formula C12H8Br2ClNOS and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
PubChem CID81295807
Molecular FormulaC12H8Br2ClNOS
Molecular Weight409.53 g/mol
Exact Mass406.84
IUPAC Name4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
SMILESO=C(NCc1cc(Br)cs1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H8Br2ClNOS/c13-8-4-9(18-6-8)5-16-12(17)7-1-2-10(14)11(15)3-7/h1-4,6H,5H2,(H,16,17)
InChIKeyYZNVWBHPMQUBHL-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 81307467
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998997
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
CID 80948919
N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide
CID 103777410
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 60794568
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide
CID 80979266
N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)benzamide
CID 47250267
4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 81002022
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47250304
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide?
The IUPAC name of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide (CID 81295807) is 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide?
The canonical SMILES for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide is O=C(NCc1cc(Br)cs1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide?
The InChIKey is YZNVWBHPMQUBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClNOS/c13-8-4-9(18-6-8)5-16-12(17)7-1-2-10(14)11(15)3-7/h1-4,6H,5H2,(H,16,17).
What are the key properties of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide?
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide has a molecular weight of 409.53 g/mol, XLogP of 4.86, 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]-3-chlorobenzamide is sourced from PubChem (CID 81295807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).