N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide

C14H13BrN2O2 — CID 110605094

IUPACN-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(Br)nc1
InChIInChI=1S/C14H13BrN2O2/c15-13-7-6-11(10-16-13)17-14(18)8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,17,18)
InChIKeyPEHJTKLLAHNSFR-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.25
Rot. Bonds5

About N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide

N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide (PubChem CID 110605094) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
PubChem CID110605094
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(Br)nc1
InChIInChI=1S/C14H13BrN2O2/c15-13-7-6-11(10-16-13)17-14(18)8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,17,18)
InChIKeyPEHJTKLLAHNSFR-UHFFFAOYSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
CID 29260428
N-(4-amino-3-bromophenyl)-3-phenoxypropanamide
CID 82861847
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751
N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide
CID 110614707
3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide
CID 113012923
N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113017972
N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
CID 113010486
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987443
3-phenoxy-N-(5-phenyl-3-pyridinyl)propanamide
CID 110713724
N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide
CID 110614772

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide (CID 110605094) is N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide?
The InChIKey is PEHJTKLLAHNSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-13-7-6-11(10-16-13)17-14(18)8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,17,18).
What are the key properties of N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide?
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide has a molecular weight of 321.17 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide is sourced from PubChem (CID 110605094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).