3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide

C12H16BrNO3 — CID 43427807

IUPAC3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO3/c1-9(8-15)14-12(16)6-7-17-11-4-2-10(13)3-5-11/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeySVUVSMIVTJVDIE-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.72
Rot. Bonds6

About 3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide

3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide (PubChem CID 43427807) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
PubChem CID43427807
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO3/c1-9(8-15)14-12(16)6-7-17-11-4-2-10(13)3-5-11/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeySVUVSMIVTJVDIE-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(4-bromophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61172016
3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide
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N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
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3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786
5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide
CID 110428172
5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide
CID 110893974
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide
CID 115770978
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
CID 79027770

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide (CID 43427807) is 3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide is CC(CO)NC(=O)CCOc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide?
The InChIKey is SVUVSMIVTJVDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-9(8-15)14-12(16)6-7-17-11-4-2-10(13)3-5-11/h2-5,9,15H,6-8H2,1H3,(H,14,16).
What are the key properties of 3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide?
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide has a molecular weight of 302.17 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide is sourced from PubChem (CID 43427807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).