2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

C14H19BrFNO3 — CID 61038556

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNO3/c1-10(2)17(6-3-7-18)14(19)9-20-13-5-4-11(15)8-12(13)16/h4-5,8,10,18H,3,6-7,9H2,1-2H3
InChIKeyORTAZGHRTVIMPE-UHFFFAOYSA-N
MW348.21 g/mol
LogP2.59
Rot. Bonds7

About 2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 61038556) has the molecular formula C14H19BrFNO3 and a molecular weight of 348.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID61038556
Molecular FormulaC14H19BrFNO3
Molecular Weight348.21 g/mol
Exact Mass347.05
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNO3/c1-10(2)17(6-3-7-18)14(19)9-20-13-5-4-11(15)8-12(13)16/h4-5,8,10,18H,3,6-7,9H2,1-2H3
InChIKeyORTAZGHRTVIMPE-UHFFFAOYSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide
CID 61038899
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039056
2-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethoxy]benzamide
CID 61039674
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62817330
4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 115369231
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]acetic acid
CID 54900985
2-(4-bromo-2-fluorophenoxy)-N-(cyanomethyl)-N-ethylacetamide
CID 47082970
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039684
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039903
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
5-bromo-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]benzoic acid
CID 103601812

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 61038556) is 2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is CC(C)N(CCCO)C(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is ORTAZGHRTVIMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO3/c1-10(2)17(6-3-7-18)14(19)9-20-13-5-4-11(15)8-12(13)16/h4-5,8,10,18H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 348.21 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 61038556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).