N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide

C12H14BrClN2O3 — CID 126832557

IUPACN-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCO1)Nc1nccc(Br)c1Cl
InChIInChI=1S/C12H14BrClN2O3/c13-9-3-4-15-12(11(9)14)16-10(17)7-18-6-8-2-1-5-19-8/h3-4,8H,1-2,5-7H2,(H,15,16,17)
InChIKeyXZJWCTNQQXBBEQ-UHFFFAOYSA-N
MW349.61 g/mol
LogP2.63
Rot. Bonds5

About N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide

N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 126832557) has the molecular formula C12H14BrClN2O3 and a molecular weight of 349.61 g/mol. Its IUPAC name is N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID126832557
Molecular FormulaC12H14BrClN2O3
Molecular Weight349.61 g/mol
Exact Mass347.99
IUPAC NameN-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCO1)Nc1nccc(Br)c1Cl
InChIInChI=1S/C12H14BrClN2O3/c13-9-3-4-15-12(11(9)14)16-10(17)7-18-6-8-2-1-5-19-8/h3-4,8H,1-2,5-7H2,(H,15,16,17)
InChIKeyXZJWCTNQQXBBEQ-UHFFFAOYSA-N
XLogP2.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 97185478
N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
CID 157010923
N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56789769
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 40796730
1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798272
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide (CID 126832557) is N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide is O=C(COCC1CCCO1)Nc1nccc(Br)c1Cl.
What is the InChIKey of N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is XZJWCTNQQXBBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O3/c13-9-3-4-15-12(11(9)14)16-10(17)7-18-6-8-2-1-5-19-8/h3-4,8H,1-2,5-7H2,(H,15,16,17).
What are the key properties of N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 349.61 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 126832557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).