2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

C14H17BrFNO3 — CID 114751339

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESO=C(COc1ccc(F)cc1Br)NCC1(CCO)CC1
InChIInChI=1S/C14H17BrFNO3/c15-11-7-10(16)1-2-12(11)20-8-13(19)17-9-14(3-4-14)5-6-18/h1-2,7,18H,3-6,8-9H2,(H,17,19)
InChIKeySRVOIGYUVSOEIJ-UHFFFAOYSA-N
MW346.20 g/mol
LogP2.25
Rot. Bonds7

About 2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (PubChem CID 114751339) has the molecular formula C14H17BrFNO3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
PubChem CID114751339
Molecular FormulaC14H17BrFNO3
Molecular Weight346.20 g/mol
Exact Mass345.04
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESO=C(COc1ccc(F)cc1Br)NCC1(CCO)CC1
InChIInChI=1S/C14H17BrFNO3/c15-11-7-10(16)1-2-12(11)20-8-13(19)17-9-14(3-4-14)5-6-18/h1-2,7,18H,3-6,8-9H2,(H,17,19)
InChIKeySRVOIGYUVSOEIJ-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dibromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751475
2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751462
2-(2,4-dichlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751365
2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301912
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362465
2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114750942
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 114750966
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725719
2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide
CID 30032881
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107845477

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (CID 114751339) is 2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is O=C(COc1ccc(F)cc1Br)NCC1(CCO)CC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The InChIKey is SRVOIGYUVSOEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO3/c15-11-7-10(16)1-2-12(11)20-8-13(19)17-9-14(3-4-14)5-6-18/h1-2,7,18H,3-6,8-9H2,(H,17,19).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide has a molecular weight of 346.20 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 114751339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).