2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

C19H19BrClNO4 — CID 40796730

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H19BrClNO4/c20-17-10-13(21)3-8-18(17)26-12-19(23)22-14-4-6-15(7-5-14)25-11-16-2-1-9-24-16/h3-8,10,16H,1-2,9,11-12H2,(H,22,23)/t16-/m0/s1
InChIKeyWKHITHFVPTYJNN-INIZCTEOSA-N
MW440.72 g/mol
LogP4.68
Rot. Bonds7

About 2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (PubChem CID 40796730) has the molecular formula C19H19BrClNO4 and a molecular weight of 440.72 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
PubChem CID40796730
Molecular FormulaC19H19BrClNO4
Molecular Weight440.72 g/mol
Exact Mass439.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H19BrClNO4/c20-17-10-13(21)3-8-18(17)26-12-19(23)22-14-4-6-15(7-5-14)25-11-16-2-1-9-24-16/h3-8,10,16H,1-2,9,11-12H2,(H,22,23)/t16-/m0/s1
InChIKeyWKHITHFVPTYJNN-INIZCTEOSA-N
XLogP4.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.72
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide with MolForge

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 40965378
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957861
[2-(4-chloroanilino)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2559634
2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444899
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981199
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867
2-naphthalen-2-yloxy-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295169

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (CID 40796730) is 2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is O=C(COc1ccc(Cl)cc1Br)Nc1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The InChIKey is WKHITHFVPTYJNN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19BrClNO4/c20-17-10-13(21)3-8-18(17)26-12-19(23)22-14-4-6-15(7-5-14)25-11-16-2-1-9-24-16/h3-8,10,16H,1-2,9,11-12H2,(H,22,23)/t16-/m0/s1.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide has a molecular weight of 440.72 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 40796730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).