5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide

C12H9BrClNOS — CID 898978

IUPAC5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H9BrClNOS/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16)
InChIKeyDOWWUYRINRHPSA-UHFFFAOYSA-N
MW330.63 g/mol
LogP4.09
Rot. Bonds3

About 5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide

5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 898978) has the molecular formula C12H9BrClNOS and a molecular weight of 330.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID898978
Molecular FormulaC12H9BrClNOS
Molecular Weight330.63 g/mol
Exact Mass328.93
IUPAC Name5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H9BrClNOS/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16)
InChIKeyDOWWUYRINRHPSA-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.63
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
5-bromo-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 1246230
N-[(2-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 17390892
N-[(2-bromophenyl)methyl]-2-thiophenecarboxamide
CID 1246750
N-{2-[(4-bromophenyl)sulfonyl]ethyl}-2-chlorobenzenecarboxamide
CID 1479193
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide
CID 2742021
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide
CID 2804951
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 44443761
4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 44443765
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-carboxamide
CID 44443775

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide (CID 898978) is 5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is DOWWUYRINRHPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNOS/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16).
What are the key properties of 5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide?
5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 330.63 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 898978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).