2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide

C16H15BrFNO — CID 797921

IUPAC2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO/c17-14-5-1-13(2-6-14)11-16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20)
InChIKeyVNRGTRXMVRTLQO-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.49
Rot. Bonds5

About 2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 797921) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID797921
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO/c17-14-5-1-13(2-6-14)11-16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20)
InChIKeyVNRGTRXMVRTLQO-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 797921) is 2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(Cc1ccc(Br)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is VNRGTRXMVRTLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-14-5-1-13(2-6-14)11-16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 336.20 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 797921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).