2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C14H17BrClNO3 — CID 9338818

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H17BrClNO3/c1-9-5-10(15)6-12(16)14(9)20-8-13(18)17-7-11-3-2-4-19-11/h5-6,11H,2-4,7-8H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyWYPPJWULIWKMDT-LLVKDONJSA-N
MW362.65 g/mol
LogP3.08
Rot. Bonds5

About 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 9338818) has the molecular formula C14H17BrClNO3 and a molecular weight of 362.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID9338818
Molecular FormulaC14H17BrClNO3
Molecular Weight362.65 g/mol
Exact Mass361.01
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H17BrClNO3/c1-9-5-10(15)6-12(16)14(9)20-8-13(18)17-7-11-3-2-4-19-11/h5-6,11H,2-4,7-8H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyWYPPJWULIWKMDT-LLVKDONJSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 9338815
2-(4-bromo-3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2922415
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499672
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 4511223
2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone
CID 63903259
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404420
2-(5,6-dimethylpyridazin-3-yl)oxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95352905
4-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 60698794
2-(3-chloro-4-cyanophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 99830322
2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4790141

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 9338818) is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1cc(Br)cc(Cl)c1OCC(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is WYPPJWULIWKMDT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17BrClNO3/c1-9-5-10(15)6-12(16)14(9)20-8-13(18)17-7-11-3-2-4-19-11/h5-6,11H,2-4,7-8H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 362.65 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 9338818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).