N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide

C13H15Br2NO2 — CID 55611657

IUPACN-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2NO2/c14-9-3-5-11(15)12(8-9)16-13(17)6-4-10-2-1-7-18-10/h3,5,8,10H,1-2,4,6-7H2,(H,16,17)
InChIKeyWIAHCONMNBTXDE-UHFFFAOYSA-N
MW377.08 g/mol
LogP4.11
Rot. Bonds4

About N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide

N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide (PubChem CID 55611657) has the molecular formula C13H15Br2NO2 and a molecular weight of 377.08 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
PubChem CID55611657
Molecular FormulaC13H15Br2NO2
Molecular Weight377.08 g/mol
Exact Mass374.95
IUPAC NameN-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1cc(Br)ccc1Br
InChIInChI=1S/C13H15Br2NO2/c14-9-3-5-11(15)12(8-9)16-13(17)6-4-10-2-1-7-18-10/h3,5,8,10H,1-2,4,6-7H2,(H,16,17)
InChIKeyWIAHCONMNBTXDE-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 104880332
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
3-bromo-4-[3-(oxolan-2-yl)propanoylamino]benzenesulfonyl chloride
CID 65157153
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 104880211

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide (CID 55611657) is N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)Nc1cc(Br)ccc1Br.
What is the InChIKey of N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is WIAHCONMNBTXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO2/c14-9-3-5-11(15)12(8-9)16-13(17)6-4-10-2-1-7-18-10/h3,5,8,10H,1-2,4,6-7H2,(H,16,17).
What are the key properties of N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide?
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 377.08 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 55611657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).