2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide

C13H18BrNO4 — CID 66170661

IUPAC2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCC(C)(O)CO
InChIInChI=1S/C13H18BrNO4/c1-9(12(17)15-7-13(2,18)8-16)19-11-5-3-10(14)4-6-11/h3-6,9,16,18H,7-8H2,1-2H3,(H,15,17)
InChIKeyATSRLISBGZTDTG-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.08
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide

2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide (PubChem CID 66170661) has the molecular formula C13H18BrNO4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
PubChem CID66170661
Molecular FormulaC13H18BrNO4
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC Name2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCC(C)(O)CO
InChIInChI=1S/C13H18BrNO4/c1-9(12(17)15-7-13(2,18)8-16)19-11-5-3-10(14)4-6-11/h3-6,9,16,18H,7-8H2,1-2H3,(H,15,17)
InChIKeyATSRLISBGZTDTG-UHFFFAOYSA-N
XLogP1.08
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
CID 66169775
2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 65112101
N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
CID 65114573
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769752
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712364
3-[2-(4-bromophenoxy)propanoylamino]butanoic acid
CID 43240759
4-[2-(4-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81063444
2-[2-(4-bromophenoxy)propanoylamino]propanoic acid
CID 18837935
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide (CID 66170661) is 2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)NCC(C)(O)CO.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The InChIKey is ATSRLISBGZTDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4/c1-9(12(17)15-7-13(2,18)8-16)19-11-5-3-10(14)4-6-11/h3-6,9,16,18H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide has a molecular weight of 332.19 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 66170661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).