3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide

C13H16BrNO3 — CID 115877589

IUPAC3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESO=C(CCOc1ccc(Br)cc1)NC1(CO)CC1
InChIInChI=1S/C13H16BrNO3/c14-10-1-3-11(4-2-10)18-8-5-12(17)15-13(9-16)6-7-13/h1-4,16H,5-9H2,(H,15,17)
InChIKeyICZBOOCXIFMJJS-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.86
Rot. Bonds6

About 3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide

3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide (PubChem CID 115877589) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
PubChem CID115877589
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESO=C(CCOc1ccc(Br)cc1)NC1(CO)CC1
InChIInChI=1S/C13H16BrNO3/c14-10-1-3-11(4-2-10)18-8-5-12(17)15-13(9-16)6-7-13/h1-4,16H,5-9H2,(H,15,17)
InChIKeyICZBOOCXIFMJJS-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43169472
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877535
3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115362467
2-(4-bromophenoxy)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62526654
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786
1-[[4-(4-bromophenoxy)butanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449683
4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764949
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide
CID 47438875

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide (CID 115877589) is 3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide is O=C(CCOc1ccc(Br)cc1)NC1(CO)CC1.
What is the InChIKey of 3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The InChIKey is ICZBOOCXIFMJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c14-10-1-3-11(4-2-10)18-8-5-12(17)15-13(9-16)6-7-13/h1-4,16H,5-9H2,(H,15,17).
What are the key properties of 3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide has a molecular weight of 314.18 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide is sourced from PubChem (CID 115877589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).