2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

C14H19BrFNO3 — CID 62521032

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNO3/c1-3-14(4-2,9-18)17-13(19)8-20-12-6-5-10(15)7-11(12)16/h5-7,18H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeySSKKVEWGACZKEW-UHFFFAOYSA-N
MW348.21 g/mol
LogP2.63
Rot. Bonds7

About 2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (PubChem CID 62521032) 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-(hydroxymethyl)pentan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
PubChem CID62521032
Molecular FormulaC14H19BrFNO3
Molecular Weight348.21 g/mol
Exact Mass347.05
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNO3/c1-3-14(4-2,9-18)17-13(19)8-20-12-6-5-10(15)7-11(12)16/h5-7,18H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeySSKKVEWGACZKEW-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 119523767
2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103602624
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107845477
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide
CID 2522978
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 78774023
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
propan-2-yl 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]propanoate
CID 51256426
2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021804
(2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]hexanoic acid
CID 107144003

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (CID 62521032) is 2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is CCC(CC)(CO)NC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The InChIKey is SSKKVEWGACZKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO3/c1-3-14(4-2,9-18)17-13(19)8-20-12-6-5-10(15)7-11(12)16/h5-7,18H,3-4,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide has a molecular weight of 348.21 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is sourced from PubChem (CID 62521032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).