2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

C12H15BrFNO5 — CID 107845477

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESO=C(COc1ccc(F)cc1Br)NC(CO)(CO)CO
InChIInChI=1S/C12H15BrFNO5/c13-9-3-8(14)1-2-10(9)20-4-11(19)15-12(5-16,6-17)7-18/h1-3,16-18H,4-7H2,(H,15,19)
InChIKeyGDDLTUQCUZYYHT-UHFFFAOYSA-N
MW352.16 g/mol
LogP-0.20
Rot. Bonds7

About 2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (PubChem CID 107845477) has the molecular formula C12H15BrFNO5 and a molecular weight of 352.16 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
PubChem CID107845477
Molecular FormulaC12H15BrFNO5
Molecular Weight352.16 g/mol
Exact Mass351.01
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESO=C(COc1ccc(F)cc1Br)NC(CO)(CO)CO
InChIInChI=1S/C12H15BrFNO5/c13-9-3-8(14)1-2-10(9)20-4-11(19)15-12(5-16,6-17)7-18/h1-3,16-18H,4-7H2,(H,15,19)
InChIKeyGDDLTUQCUZYYHT-UHFFFAOYSA-N
XLogP-0.20
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103602624
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-(2-bromo-4-fluorophenoxy)-N-cyanoacetamide
CID 79194674
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521032
2-(2-bromo-4-fluorophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7899911
2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47004249
4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]butanoic acid
CID 43239243
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
(2S,3R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964738

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (CID 107845477) is 2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is O=C(COc1ccc(F)cc1Br)NC(CO)(CO)CO.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The InChIKey is GDDLTUQCUZYYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO5/c13-9-3-8(14)1-2-10(9)20-4-11(19)15-12(5-16,6-17)7-18/h1-3,16-18H,4-7H2,(H,15,19).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide has a molecular weight of 352.16 g/mol, XLogP of -0.20, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is sourced from PubChem (CID 107845477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).