2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

C13H17ClFNO4 — CID 103602624

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO4/c1-2-13(7-17,8-18)16-12(19)6-20-11-4-3-9(15)5-10(11)14/h3-5,17-18H,2,6-8H2,1H3,(H,16,19)
InChIKeyCOSUYJXYWVACBI-UHFFFAOYSA-N
MW305.73 g/mol
LogP1.11
Rot. Bonds7

About 2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (PubChem CID 103602624) has the molecular formula C13H17ClFNO4 and a molecular weight of 305.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
PubChem CID103602624
Molecular FormulaC13H17ClFNO4
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO4/c1-2-13(7-17,8-18)16-12(19)6-20-11-4-3-9(15)5-10(11)14/h3-5,17-18H,2,6-8H2,1H3,(H,16,19)
InChIKeyCOSUYJXYWVACBI-UHFFFAOYSA-N
XLogP1.11
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64557969
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107845477
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521032
2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64555809
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 103604623
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (CID 103602624) is 2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is CCC(CO)(CO)NC(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The InChIKey is COSUYJXYWVACBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO4/c1-2-13(7-17,8-18)16-12(19)6-20-11-4-3-9(15)5-10(11)14/h3-5,17-18H,2,6-8H2,1H3,(H,16,19).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide has a molecular weight of 305.73 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is sourced from PubChem (CID 103602624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).