2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide

C14H12Br2N2O2 — CID 45147944

IUPAC2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H12Br2N2O2/c1-9(20-12-5-3-2-4-11(12)16)14(19)18-13-7-6-10(15)8-17-13/h2-9H,1H3,(H,17,18,19)
InChIKeyNGZAKAZQXISCBO-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.01
Rot. Bonds4

About 2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide

2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide (PubChem CID 45147944) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide
PubChem CID45147944
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H12Br2N2O2/c1-9(20-12-5-3-2-4-11(12)16)14(19)18-13-7-6-10(15)8-17-13/h2-9H,1H3,(H,17,18,19)
InChIKeyNGZAKAZQXISCBO-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide
CID 45147954
(2R)-2-(2-bromophenoxy)-N-(1,2-oxazol-3-yl)propanamide
CID 42561678
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
2-(2-bromophenoxy)-N-(4-methylphenyl)propanamide
CID 112777983
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082
2-bromo-N-(5-bromo-2-pyridinyl)-3-methylbutanamide
CID 43114357
4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498673
4-[2-(2-bromophenoxy)propanoylamino]benzamide
CID 84603766
2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 6472883
(2R)-2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 40639361
(2S)-2-(2,3-dichlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 27233794

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide (CID 45147944) is 2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide is CC(Oc1ccccc1Br)C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide?
The InChIKey is NGZAKAZQXISCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-9(20-12-5-3-2-4-11(12)16)14(19)18-13-7-6-10(15)8-17-13/h2-9H,1H3,(H,17,18,19).
What are the key properties of 2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide?
2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide has a molecular weight of 400.07 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide is sourced from PubChem (CID 45147944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).