3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C14H18BrNO3 — CID 126851273

IUPAC3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1Br)NCC1(O)CCOC1
InChIInChI=1S/C14H18BrNO3/c15-12-4-2-1-3-11(12)5-6-13(17)16-9-14(18)7-8-19-10-14/h1-4,18H,5-10H2,(H,16,17)
InChIKeyLUGIJFLWRAUBAF-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.65
Rot. Bonds5

About 3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 126851273) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID126851273
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1Br)NCC1(O)CCOC1
InChIInChI=1S/C14H18BrNO3/c15-12-4-2-1-3-11(12)5-6-13(17)16-9-14(18)7-8-19-10-14/h1-4,18H,5-10H2,(H,16,17)
InChIKeyLUGIJFLWRAUBAF-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101366
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
3-[5-(2-fluorophenyl)furan-2-yl]-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 71909802
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79038684
3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849539
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635
2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849356

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 126851273) is 3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is O=C(CCc1ccccc1Br)NCC1(O)CCOC1.
What is the InChIKey of 3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is LUGIJFLWRAUBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c15-12-4-2-1-3-11(12)5-6-13(17)16-9-14(18)7-8-19-10-14/h1-4,18H,5-10H2,(H,16,17).
What are the key properties of 3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 328.21 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 126851273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).