[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate

C20H19Cl2NO5 — CID 46793982

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OCC2CCCO2)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H19Cl2NO5/c21-16-4-1-5-17(19(16)22)23-18(24)12-28-20(25)13-6-8-14(9-7-13)27-11-15-3-2-10-26-15/h1,4-9,15H,2-3,10-12H2,(H,23,24)
InChIKeyGIRVWQMJVFVHJR-UHFFFAOYSA-N
MW424.28 g/mol
LogP4.35
Rot. Bonds7

About [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate (PubChem CID 46793982) has the molecular formula C20H19Cl2NO5 and a molecular weight of 424.28 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
PubChem CID46793982
Molecular FormulaC20H19Cl2NO5
Molecular Weight424.28 g/mol
Exact Mass423.06
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OCC2CCCO2)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H19Cl2NO5/c21-16-4-1-5-17(19(16)22)23-18(24)12-28-20(25)13-6-8-14(9-7-13)27-11-15-3-2-10-26-15/h1,4-9,15H,2-3,10-12H2,(H,23,24)
InChIKeyGIRVWQMJVFVHJR-UHFFFAOYSA-N
XLogP4.35
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.28
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate with MolForge

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2559634
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 46793927
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2559601
[2-(cyclopentylamino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 4540325
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445473
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 7445691
N-(3-chloro-2-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821519
N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55700831
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate (CID 46793982) is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate is O=C(COC(=O)c1ccc(OCC2CCCO2)cc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate?
The InChIKey is GIRVWQMJVFVHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO5/c21-16-4-1-5-17(19(16)22)23-18(24)12-28-20(25)13-6-8-14(9-7-13)27-11-15-3-2-10-26-15/h1,4-9,15H,2-3,10-12H2,(H,23,24).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate has a molecular weight of 424.28 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate is sourced from PubChem (CID 46793982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).