N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide

C14H13BrN2O2 — CID 110605088

IUPACN-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Br)nc2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-19-12-5-2-10(3-6-12)8-14(18)17-11-4-7-13(15)16-9-11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyVGMOFMTUXULVML-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.03
Rot. Bonds4

About N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide

N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 110605088) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
PubChem CID110605088
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Br)nc2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-19-12-5-2-10(3-6-12)8-14(18)17-11-4-7-13(15)16-9-11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyVGMOFMTUXULVML-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.03
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

2-[4-(difluoromethoxy)phenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 33142873
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
N-(1H-imidazo[4,5-b]pyridin-6-yl)-2-(4-methoxyphenyl)acetamide
CID 110866894
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
2-(4-methoxyphenyl)-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]acetamide
CID 113012370
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113013483
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 22170781
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methoxyphenyl)acetamide
CID 103756161
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide (CID 110605088) is N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(Br)nc2)cc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is VGMOFMTUXULVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-12-5-2-10(3-6-12)8-14(18)17-11-4-7-13(15)16-9-11/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide?
N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 321.17 g/mol, XLogP of 3.03, 4 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)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 110605088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).