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

C13H10Br2ClNOS — CID 103882523

IUPAC2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc(Cl)s1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H10Br2ClNOS/c14-8-1-3-10(11(15)7-8)13(18)17-6-5-9-2-4-12(16)19-9/h1-4,7H,5-6H2,(H,17,18)
InChIKeyMNBXGMPQLNMERC-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.90
Rot. Bonds4

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

2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide (PubChem CID 103882523) has the molecular formula C13H10Br2ClNOS and a molecular weight of 423.56 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide
PubChem CID103882523
Molecular FormulaC13H10Br2ClNOS
Molecular Weight423.56 g/mol
Exact Mass420.85
IUPAC Name2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc(Cl)s1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H10Br2ClNOS/c14-8-1-3-10(11(15)7-8)13(18)17-6-5-9-2-4-12(16)19-9/h1-4,7H,5-6H2,(H,17,18)
InChIKeyMNBXGMPQLNMERC-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide
CID 103863673
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
CID 106033391
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-sulfanylbenzamide
CID 107030591
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide
CID 106033258
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 107951922
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide (CID 103882523) is 2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide is O=C(NCCc1ccc(Cl)s1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide?
The InChIKey is MNBXGMPQLNMERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClNOS/c14-8-1-3-10(11(15)7-8)13(18)17-6-5-9-2-4-12(16)19-9/h1-4,7H,5-6H2,(H,17,18).
What are the key properties of 2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide?
2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 103882523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).