(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide

C16H21Cl2NO3 — CID 124753412

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C16H21Cl2NO3/c1-3-13(22-15-7-6-11(17)9-12(15)18)16(20)19-10(2)14-5-4-8-21-14/h6-7,9-10,13-14H,3-5,8H2,1-2H3,(H,19,20)/t10-,13+,14-/m1/s1
InChIKeyLYDVQVPIQPPGQF-DDTOSNHZSA-N
MW346.25 g/mol
LogP3.83
Rot. Bonds6

About (2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide

(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide (PubChem CID 124753412) has the molecular formula C16H21Cl2NO3 and a molecular weight of 346.25 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide
PubChem CID124753412
Molecular FormulaC16H21Cl2NO3
Molecular Weight346.25 g/mol
Exact Mass345.09
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C16H21Cl2NO3/c1-3-13(22-15-7-6-11(17)9-12(15)18)16(20)19-10(2)14-5-4-8-21-14/h6-7,9-10,13-14H,3-5,8H2,1-2H3,(H,19,20)/t10-,13+,14-/m1/s1
InChIKeyLYDVQVPIQPPGQF-DDTOSNHZSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze (2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide with MolForge

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233264
4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 17330428
2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 95160627
4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
CID 55609498
2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 2970318
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 61155055
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27232484
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222499
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17249236
N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
CID 47229364

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide (CID 124753412) is (2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide is CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H]1CCCO1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide?
The InChIKey is LYDVQVPIQPPGQF-DDTOSNHZSA-N. The full InChI is InChI=1S/C16H21Cl2NO3/c1-3-13(22-15-7-6-11(17)9-12(15)18)16(20)19-10(2)14-5-4-8-21-14/h6-7,9-10,13-14H,3-5,8H2,1-2H3,(H,19,20)/t10-,13+,14-/m1/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide has a molecular weight of 346.25 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide is sourced from PubChem (CID 124753412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).