2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide

C13H10BrCl2NOS — CID 113257289

IUPAC2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1Br)c1ccc(Cl)s1
InChIInChI=1S/C13H10BrCl2NOS/c1-7(11-4-5-12(16)19-11)17-13(18)9-3-2-8(15)6-10(9)14/h2-7H,1H3,(H,17,18)
InChIKeyISRBCYXHGOHXGP-UHFFFAOYSA-N
MW379.11 g/mol
LogP5.31
Rot. Bonds3

About 2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide

2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide (PubChem CID 113257289) has the molecular formula C13H10BrCl2NOS and a molecular weight of 379.11 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
PubChem CID113257289
Molecular FormulaC13H10BrCl2NOS
Molecular Weight379.11 g/mol
Exact Mass376.90
IUPAC Name2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1Br)c1ccc(Cl)s1
InChIInChI=1S/C13H10BrCl2NOS/c1-7(11-4-5-12(16)19-11)17-13(18)9-3-2-8(15)6-10(9)14/h2-7H,1H3,(H,17,18)
InChIKeyISRBCYXHGOHXGP-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

2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 107951922
5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 51938203
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113362339
5-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-hydroxybenzamide
CID 107729705
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
CID 106501533
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103764047
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103825446
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide (CID 113257289) is 2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(Cl)cc1Br)c1ccc(Cl)s1.
What is the InChIKey of 2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The InChIKey is ISRBCYXHGOHXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NOS/c1-7(11-4-5-12(16)19-11)17-13(18)9-3-2-8(15)6-10(9)14/h2-7H,1H3,(H,17,18).
What are the key properties of 2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
2-bromo-4-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 2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 113257289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).