(2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide

C15H17Cl2NO3 — CID 7454797

IUPAC(2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide
SMILESC[C@H](C[C@H]1C[C@H](C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2NO3/c1-8(5-10-6-9(2)21-15(10)20)14(19)18-13-7-11(16)3-4-12(13)17/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)/t8-,9+,10+/m1/s1
InChIKeyXBBINZULIPAWPH-UTLUCORTSA-N
MW330.21 g/mol
LogP3.91
Rot. Bonds4

About (2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide

(2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide (PubChem CID 7454797) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is (2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide
PubChem CID7454797
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name(2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide
SMILESC[C@H](C[C@H]1C[C@H](C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2NO3/c1-8(5-10-6-9(2)21-15(10)20)14(19)18-13-7-11(16)3-4-12(13)17/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)/t8-,9+,10+/m1/s1
InChIKeyXBBINZULIPAWPH-UTLUCORTSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide?
The IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide (CID 7454797) is (2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide?
The canonical SMILES for (2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide is C[C@H](C[C@H]1C[C@H](C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide?
The InChIKey is XBBINZULIPAWPH-UTLUCORTSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-8(5-10-6-9(2)21-15(10)20)14(19)18-13-7-11(16)3-4-12(13)17/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)/t8-,9+,10+/m1/s1.
What are the key properties of (2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide?
(2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide has a molecular weight of 330.21 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide is sourced from PubChem (CID 7454797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).