3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide

C13H10BrCl2NOS — CID 113362339

IUPAC3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Br)c1Cl)c1ccc(Cl)s1
InChIInChI=1S/C13H10BrCl2NOS/c1-7(10-5-6-11(15)19-10)17-13(18)8-3-2-4-9(14)12(8)16/h2-7H,1H3,(H,17,18)
InChIKeyXBLQMFAOBUZWIP-UHFFFAOYSA-N
MW379.11 g/mol
LogP5.31
Rot. Bonds3

About 3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide

3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide (PubChem CID 113362339) has the molecular formula C13H10BrCl2NOS and a molecular weight of 379.11 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
PubChem CID113362339
Molecular FormulaC13H10BrCl2NOS
Molecular Weight379.11 g/mol
Exact Mass376.90
IUPAC Name3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Br)c1Cl)c1ccc(Cl)s1
InChIInChI=1S/C13H10BrCl2NOS/c1-7(10-5-6-11(15)19-10)17-13(18)8-3-2-4-9(14)12(8)16/h2-7H,1H3,(H,17,18)
InChIKeyXBLQMFAOBUZWIP-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.11
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 107951922
2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113257289
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
5-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-hydroxybenzamide
CID 107729705
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661470
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37316927
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62181041
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
3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 103985509

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide (CID 113362339) is 3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide is CC(NC(=O)c1cccc(Br)c1Cl)c1ccc(Cl)s1.
What is the InChIKey of 3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The InChIKey is XBLQMFAOBUZWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NOS/c1-7(10-5-6-11(15)19-10)17-13(18)8-3-2-4-9(14)12(8)16/h2-7H,1H3,(H,17,18).
What are the key properties of 3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide has a molecular weight of 379.11 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 113362339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).