3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide

C12H8Br2ClNOS — CID 114023582

IUPAC3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)s1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H8Br2ClNOS/c13-8-3-7(4-9(14)5-8)12(17)16-6-10-1-2-11(15)18-10/h1-5H,6H2,(H,16,17)
InChIKeyZYEIJIVVJPSHGH-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.86
Rot. Bonds3

About 3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide

3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide (PubChem CID 114023582) has the molecular formula C12H8Br2ClNOS and a molecular weight of 409.53 g/mol. Its IUPAC name is 3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
PubChem CID114023582
Molecular FormulaC12H8Br2ClNOS
Molecular Weight409.53 g/mol
Exact Mass406.84
IUPAC Name3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)s1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H8Br2ClNOS/c13-8-3-7(4-9(14)5-8)12(17)16-6-10-1-2-11(15)18-10/h1-5H,6H2,(H,16,17)
InChIKeyZYEIJIVVJPSHGH-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

3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-sulfanylbenzamide
CID 107030591
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62998517
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
CID 113228296
N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434669
N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956442
N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
CID 32778548
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519034
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 46460415
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
3-[3-[(5-chlorothiophen-2-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 77033251

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide (CID 114023582) is 3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide is O=C(NCc1ccc(Cl)s1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide?
The InChIKey is ZYEIJIVVJPSHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClNOS/c13-8-3-7(4-9(14)5-8)12(17)16-6-10-1-2-11(15)18-10/h1-5H,6H2,(H,16,17).
What are the key properties of 3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide?
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide 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 3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 114023582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).