2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide

C14H12Br2N2O2 — CID 5077519

IUPAC2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide
SMILESCC(Oc1ccc(Br)cc1Br)C(=O)Nc1cccnc1
InChIInChI=1S/C14H12Br2N2O2/c1-9(14(19)18-11-3-2-6-17-8-11)20-13-5-4-10(15)7-12(13)16/h2-9H,1H3,(H,18,19)
InChIKeyQGNWQRXJLQCVFZ-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.01
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide

2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide (PubChem CID 5077519) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide
PubChem CID5077519
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide
SMILESCC(Oc1ccc(Br)cc1Br)C(=O)Nc1cccnc1
InChIInChI=1S/C14H12Br2N2O2/c1-9(14(19)18-11-3-2-6-17-8-11)20-13-5-4-10(15)7-12(13)16/h2-9H,1H3,(H,18,19)
InChIKeyQGNWQRXJLQCVFZ-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide (CID 5077519) is 2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide is CC(Oc1ccc(Br)cc1Br)C(=O)Nc1cccnc1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide?
The InChIKey is QGNWQRXJLQCVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-9(14(19)18-11-3-2-6-17-8-11)20-13-5-4-10(15)7-12(13)16/h2-9H,1H3,(H,18,19).
What are the key properties of 2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide?
2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide 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-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 5077519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).