3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide

C12H13Br2NO2 — CID 47438875

IUPAC3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide
SMILESC=C(Br)CNC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C12H13Br2NO2/c1-9(13)8-15-12(16)6-7-17-11-4-2-10(14)3-5-11/h2-5H,1,6-8H2,(H,15,16)
InChIKeyNHCCMJOWUCLKMJ-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.24
Rot. Bonds6

About 3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide

3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide (PubChem CID 47438875) has the molecular formula C12H13Br2NO2 and a molecular weight of 363.05 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide
PubChem CID47438875
Molecular FormulaC12H13Br2NO2
Molecular Weight363.05 g/mol
Exact Mass360.93
IUPAC Name3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide
SMILESC=C(Br)CNC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C12H13Br2NO2/c1-9(13)8-15-12(16)6-7-17-11-4-2-10(14)3-5-11/h2-5H,1,6-8H2,(H,15,16)
InChIKeyNHCCMJOWUCLKMJ-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
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3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279901
N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
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CID 103825257
3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115362467
3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
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3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
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2-[3-(4-chlorophenoxy)propanoylamino]acetic acid
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4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide
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CID 113227551

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide (CID 47438875) is 3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide is C=C(Br)CNC(=O)CCOc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide?
The InChIKey is NHCCMJOWUCLKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO2/c1-9(13)8-15-12(16)6-7-17-11-4-2-10(14)3-5-11/h2-5H,1,6-8H2,(H,15,16).
What are the key properties of 3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide?
3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide has a molecular weight of 363.05 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide is sourced from PubChem (CID 47438875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).