N-(4-bromophenyl)-2-thiophen-2-ylacetamide

C12H10BrNOS — CID 531787

IUPACN-(4-bromophenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H10BrNOS/c13-9-3-5-10(6-4-9)14-12(15)8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15)
InChIKeyIQPFTYHOJYZMRQ-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.69
Rot. Bonds3

About N-(4-bromophenyl)-2-thiophen-2-ylacetamide

N-(4-bromophenyl)-2-thiophen-2-ylacetamide (PubChem CID 531787) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-thiophen-2-ylacetamide
PubChem CID531787
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC NameN-(4-bromophenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H10BrNOS/c13-9-3-5-10(6-4-9)14-12(15)8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15)
InChIKeyIQPFTYHOJYZMRQ-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-thiophen-2-ylacetamide (CID 531787) is N-(4-bromophenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-thiophen-2-ylacetamide?
The InChIKey is IQPFTYHOJYZMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c13-9-3-5-10(6-4-9)14-12(15)8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15).
What are the key properties of N-(4-bromophenyl)-2-thiophen-2-ylacetamide?
N-(4-bromophenyl)-2-thiophen-2-ylacetamide has a molecular weight of 296.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 531787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).