N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide

C13H10BrClN2O3 — CID 84558529

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C13H10BrClN2O3/c14-8-5-11(13(19)16-6-8)17-12(18)7-20-10-3-1-9(15)2-4-10/h1-6H,7H2,(H,16,19)(H,17,18)
InChIKeyTZWJNDNDVYRRHL-UHFFFAOYSA-N
MW357.59 g/mol
LogP2.81
Rot. Bonds4

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide (PubChem CID 84558529) has the molecular formula C13H10BrClN2O3 and a molecular weight of 357.59 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide
PubChem CID84558529
Molecular FormulaC13H10BrClN2O3
Molecular Weight357.59 g/mol
Exact Mass355.96
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C13H10BrClN2O3/c14-8-5-11(13(19)16-6-8)17-12(18)7-20-10-3-1-9(15)2-4-10/h1-6H,7H2,(H,16,19)(H,17,18)
InChIKeyTZWJNDNDVYRRHL-UHFFFAOYSA-N
XLogP2.81
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride
CID 119862492
2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid
CID 1026108
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
2-(4-bromophenoxy)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 60536138
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 114315608
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide (CID 84558529) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is TZWJNDNDVYRRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O3/c14-8-5-11(13(19)16-6-8)17-12(18)7-20-10-3-1-9(15)2-4-10/h1-6H,7H2,(H,16,19)(H,17,18).
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 357.59 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 84558529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).