2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide

C13H11Br2NOS — CID 107952380

IUPAC2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)c1ccsc1
InChIInChI=1S/C13H11Br2NOS/c1-8(9-4-5-18-7-9)16-13(17)11-3-2-10(14)6-12(11)15/h2-8H,1H3,(H,16,17)
InChIKeyXTALDHOOYNMFSL-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.76
Rot. Bonds3

About 2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide

2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide (PubChem CID 107952380) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide
PubChem CID107952380
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)c1ccsc1
InChIInChI=1S/C13H11Br2NOS/c1-8(9-4-5-18-7-9)16-13(17)11-3-2-10(14)6-12(11)15/h2-8H,1H3,(H,16,17)
InChIKeyXTALDHOOYNMFSL-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 103882711
2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103882791
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
4-amino-2-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840251
2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide
CID 55122299
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 107951922
5-amino-2-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 55122397
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541
2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide
CID 107028724
3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide
CID 114038489

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide (CID 107952380) is 2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide is CC(NC(=O)c1ccc(Br)cc1Br)c1ccsc1.
What is the InChIKey of 2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide?
The InChIKey is XTALDHOOYNMFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-8(9-4-5-18-7-9)16-13(17)11-3-2-10(14)6-12(11)15/h2-8H,1H3,(H,16,17).
What are the key properties of 2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide?
2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide has a molecular weight of 389.11 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 107952380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).