N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide

C19H20BrNO2 — CID 156013047

IUPACN-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide
SMILESC1=CC=C(C=C1)CCCC(=O)C(=O)NCCC2=CC=C(C=C2)Br
InChIInChI=1S/C19H20BrNO2/c20-17-11-9-16(10-12-17)13-14-21-19(23)18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,21,23)
InChIKeyUXVIUVUJSGLXAL-UHFFFAOYSA-N
MW374.30 g/mol
LogP4.30
Rot. Bonds8

About N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide

N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide (PubChem CID 156013047) has the molecular formula C19H20BrNO2 and a molecular weight of 374.30 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide
PubChem CID156013047
Molecular FormulaC19H20BrNO2
Molecular Weight374.30 g/mol
Exact Mass373.07
IUPAC NameN-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide
SMILESC1=CC=C(C=C1)CCCC(=O)C(=O)NCCC2=CC=C(C=C2)Br
InChIInChI=1S/C19H20BrNO2/c20-17-11-9-16(10-12-17)13-14-21-19(23)18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,21,23)
InChIKeyUXVIUVUJSGLXAL-UHFFFAOYSA-N
XLogP4.30
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity372

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 2798239
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
2-(4-bromophenyl)-N-(4-methylbenzyl)acetamide
CID 821124
4-bromo-N-(4-phenylbutyl)benzamide
CID 2057443
2-(4-bromophenyl)-N-(3-isopropoxypropyl)acetamide
CID 2225812
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 2915482
4-bromo-N-phenacylbenzamide
CID 732474
N-(3-Phenyl)propyl-2-(4-bromophenylacetamide)
CID 44578696
2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide
CID 2117799
2-(4-bromophenyl)-N-(pentan-2-yl)acetamide
CID 2905249
2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 4602436

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide (CID 156013047) is N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide is C1=CC=C(C=C1)CCCC(=O)C(=O)NCCC2=CC=C(C=C2)Br.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide?
The InChIKey is UXVIUVUJSGLXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c20-17-11-9-16(10-12-17)13-14-21-19(23)18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,21,23).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide?
N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide has a molecular weight of 374.30 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-2-oxo-5-phenylpentanamide is sourced from PubChem (CID 156013047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).