3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide

C15H20BrNO3 — CID 114750853

IUPAC3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
SMILESO=C(CCOc1cccc(Br)c1)NCC1(CCO)CC1
InChIInChI=1S/C15H20BrNO3/c16-12-2-1-3-13(10-12)20-9-4-14(19)17-11-15(5-6-15)7-8-18/h1-3,10,18H,4-9,11H2,(H,17,19)
InChIKeyGCQCQULQHGIEPX-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.50
Rot. Bonds8

About 3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide

3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide (PubChem CID 114750853) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
PubChem CID114750853
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
SMILESO=C(CCOc1cccc(Br)c1)NCC1(CCO)CC1
InChIInChI=1S/C15H20BrNO3/c16-12-2-1-3-13(10-12)20-9-4-14(19)17-11-15(5-6-15)7-8-18/h1-3,10,18H,4-9,11H2,(H,17,19)
InChIKeyGCQCQULQHGIEPX-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide 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

1-[[3-(3-bromophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450040
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide
CID 114758920
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
ethyl 2-[3-(3-bromophenoxy)propanoylamino]acetate
CID 54921404
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115362467
2-(2,4-dibromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751475
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
CID 115365510
3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43390558
3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586
3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861618

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide (CID 114750853) is 3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide is O=C(CCOc1cccc(Br)c1)NCC1(CCO)CC1.
What is the InChIKey of 3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The InChIKey is GCQCQULQHGIEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-12-2-1-3-13(10-12)20-9-4-14(19)17-11-15(5-6-15)7-8-18/h1-3,10,18H,4-9,11H2,(H,17,19).
What are the key properties of 3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide has a molecular weight of 342.23 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 114750853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).