2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide

C16H21Cl2NO3 — CID 42562997

IUPAC2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@@H](NC(=O)C(C)(C)Oc1cc(Cl)ccc1Cl)[C@@H]1CCCO1
InChIInChI=1S/C16H21Cl2NO3/c1-10(13-5-4-8-21-13)19-15(20)16(2,3)22-14-9-11(17)6-7-12(14)18/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,19,20)/t10-,13+/m1/s1
InChIKeyAQUSPUMZQCMORO-MFKMUULPSA-N
MW346.25 g/mol
LogP3.83
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide

2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (PubChem CID 42562997) has the molecular formula C16H21Cl2NO3 and a molecular weight of 346.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
PubChem CID42562997
Molecular FormulaC16H21Cl2NO3
Molecular Weight346.25 g/mol
Exact Mass345.09
IUPAC Name2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@@H](NC(=O)C(C)(C)Oc1cc(Cl)ccc1Cl)[C@@H]1CCCO1
InChIInChI=1S/C16H21Cl2NO3/c1-10(13-5-4-8-21-13)19-15(20)16(2,3)22-14-9-11(17)6-7-12(14)18/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,19,20)/t10-,13+/m1/s1
InChIKeyAQUSPUMZQCMORO-MFKMUULPSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233264
2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233661
(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide
CID 124753412
2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 95160627
4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 17330428
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 35230890
(2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
CID 35263471

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (CID 42562997) is 2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is C[C@@H](NC(=O)C(C)(C)Oc1cc(Cl)ccc1Cl)[C@@H]1CCCO1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The InChIKey is AQUSPUMZQCMORO-MFKMUULPSA-N. The full InChI is InChI=1S/C16H21Cl2NO3/c1-10(13-5-4-8-21-13)19-15(20)16(2,3)22-14-9-11(17)6-7-12(14)18/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,19,20)/t10-,13+/m1/s1.
What are the key properties of 2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide has a molecular weight of 346.25 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is sourced from PubChem (CID 42562997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).