2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide

C13H18BrNO2 — CID 115771726

IUPAC2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-2-15(7-4-8-16)13(17)10-11-5-3-6-12(14)9-11/h3,5-6,9,16H,2,4,7-8,10H2,1H3
InChIKeyUIGSVUHCCJSXDO-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.22
Rot. Bonds6

About 2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide

2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide (PubChem CID 115771726) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
PubChem CID115771726
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-2-15(7-4-8-16)13(17)10-11-5-3-6-12(14)9-11/h3,5-6,9,16H,2,4,7-8,10H2,1H3
InChIKeyUIGSVUHCCJSXDO-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide 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-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide
CID 80659385
2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902380
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide
CID 115997546
(E)-3-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)prop-2-enamide
CID 115771892
2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
CID 113098483
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995769
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 91416066

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide (CID 115771726) is 2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide is CCN(CCCO)C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is UIGSVUHCCJSXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-2-15(7-4-8-16)13(17)10-11-5-3-6-12(14)9-11/h3,5-6,9,16H,2,4,7-8,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 300.20 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 115771726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).