2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

C14H17BrFNO4 — CID 107301912

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC1OCCC1(O)CNC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFNO4/c1-9-14(19,4-5-20-9)8-17-13(18)7-21-12-3-2-10(16)6-11(12)15/h2-3,6,9,19H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyHWGNURUAFZAPEP-UHFFFAOYSA-N
MW362.20 g/mol
LogP1.62
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (PubChem CID 107301912) has the molecular formula C14H17BrFNO4 and a molecular weight of 362.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
PubChem CID107301912
Molecular FormulaC14H17BrFNO4
Molecular Weight362.20 g/mol
Exact Mass361.03
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC1OCCC1(O)CNC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFNO4/c1-9-14(19,4-5-20-9)8-17-13(18)7-21-12-3-2-10(16)6-11(12)15/h2-3,6,9,19H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyHWGNURUAFZAPEP-UHFFFAOYSA-N
XLogP1.62
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301810
2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751339
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107268642
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
2-(2-bromo-4-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 51202181
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037091
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
2-(2,4-dibromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751475

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (CID 107301912) is 2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is CC1OCCC1(O)CNC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The InChIKey is HWGNURUAFZAPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO4/c1-9-14(19,4-5-20-9)8-17-13(18)7-21-12-3-2-10(16)6-11(12)15/h2-3,6,9,19H,4-5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide has a molecular weight of 362.20 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 107301912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).