2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide

C13H10Br2ClNOS — CID 107951922

IUPAC2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)c1ccc(Cl)s1
InChIInChI=1S/C13H10Br2ClNOS/c1-7(11-4-5-12(16)19-11)17-13(18)9-3-2-8(14)6-10(9)15/h2-7H,1H3,(H,17,18)
InChIKeyMDIKQBRWWWNFNY-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.42
Rot. Bonds3

About 2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide

2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide (PubChem CID 107951922) has the molecular formula C13H10Br2ClNOS and a molecular weight of 423.56 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
PubChem CID107951922
Molecular FormulaC13H10Br2ClNOS
Molecular Weight423.56 g/mol
Exact Mass420.85
IUPAC Name2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)c1ccc(Cl)s1
InChIInChI=1S/C13H10Br2ClNOS/c1-7(11-4-5-12(16)19-11)17-13(18)9-3-2-8(14)6-10(9)15/h2-7H,1H3,(H,17,18)
InChIKeyMDIKQBRWWWNFNY-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113257289
5-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-hydroxybenzamide
CID 107729705
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113362339
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
CID 106501533
5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 51938203
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide
CID 107952380
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103882791

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide (CID 107951922) is 2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(Br)cc1Br)c1ccc(Cl)s1.
What is the InChIKey of 2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The InChIKey is MDIKQBRWWWNFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClNOS/c1-7(11-4-5-12(16)19-11)17-13(18)9-3-2-8(14)6-10(9)15/h2-7H,1H3,(H,17,18).
What are the key properties of 2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 5.42, 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-(5-chlorothiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 107951922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).