2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide

C12H14Br2N2O — CID 116675274

IUPAC2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1Br)C1CNC1
InChIInChI=1S/C12H14Br2N2O/c1-7(8-5-15-6-8)12(17)16-11-3-2-9(13)4-10(11)14/h2-4,7-8,15H,5-6H2,1H3,(H,16,17)
InChIKeyCBQQEXGKKQQDPQ-UHFFFAOYSA-N
MW362.07 g/mol
LogP3.01
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide

2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide (PubChem CID 116675274) has the molecular formula C12H14Br2N2O and a molecular weight of 362.07 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide
PubChem CID116675274
Molecular FormulaC12H14Br2N2O
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC Name2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1Br)C1CNC1
InChIInChI=1S/C12H14Br2N2O/c1-7(8-5-15-6-8)12(17)16-11-3-2-9(13)4-10(11)14/h2-4,7-8,15H,5-6H2,1H3,(H,16,17)
InChIKeyCBQQEXGKKQQDPQ-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(azetidin-3-yl)propanoylamino]-3,5-dibromobenzoate
CID 116676063
4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide
CID 116675477
2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide
CID 116674715
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
3-[2-(azetidin-3-yl)propanoylamino]-5-bromobenzoic acid
CID 116678580
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea
CID 51944658
2-(azetidin-3-yl)-N-naphthalen-1-ylpropanamide
CID 116674289
N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide
CID 116675124
2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide
CID 116678455
1-(2,4-dibromophenyl)-3-ethylurea
CID 102364568
2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
CID 43702668

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide (CID 116675274) is 2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide is CC(C(=O)Nc1ccc(Br)cc1Br)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide?
The InChIKey is CBQQEXGKKQQDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O/c1-7(8-5-15-6-8)12(17)16-11-3-2-9(13)4-10(11)14/h2-4,7-8,15H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide?
2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide has a molecular weight of 362.07 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2,4-dibromophenyl)propanamide is sourced from PubChem (CID 116675274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).