2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide

C19H16BrNOS — CID 71809957

IUPAC2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C19H16BrNOS/c20-17-7-5-14(6-8-17)11-19(22)21-12-15-3-1-2-4-18(15)16-9-10-23-13-16/h1-10,13H,11-12H2,(H,21,22)
InChIKeyOLCGNXZYDXHSOG-UHFFFAOYSA-N
MW386.31 g/mol
LogP5.04
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide

2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide (PubChem CID 71809957) has the molecular formula C19H16BrNOS and a molecular weight of 386.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
PubChem CID71809957
Molecular FormulaC19H16BrNOS
Molecular Weight386.31 g/mol
Exact Mass385.01
IUPAC Name2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C19H16BrNOS/c20-17-7-5-14(6-8-17)11-19(22)21-12-15-3-1-2-4-18(15)16-9-10-23-13-16/h1-10,13H,11-12H2,(H,21,22)
InChIKeyOLCGNXZYDXHSOG-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.31
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide (CID 71809957) is 2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide is O=C(Cc1ccc(Br)cc1)NCc1ccccc1-c1ccsc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The InChIKey is OLCGNXZYDXHSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNOS/c20-17-7-5-14(6-8-17)11-19(22)21-12-15-3-1-2-4-18(15)16-9-10-23-13-16/h1-10,13H,11-12H2,(H,21,22).
What are the key properties of 2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide has a molecular weight of 386.31 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide is sourced from PubChem (CID 71809957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).