(2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide

C16H19Cl2NO3 — CID 845213

IUPAC(2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide
SMILESC[C@H](C[C@H]1CC(C)(C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H19Cl2NO3/c1-9(6-10-8-16(2,3)22-15(10)21)14(20)19-13-7-11(17)4-5-12(13)18/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,20)/t9-,10+/m1/s1
InChIKeyWEGRZIRJQQGVAM-ZJUUUORDSA-N
MW344.24 g/mol
LogP4.30
Rot. Bonds4

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

(2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide (PubChem CID 845213) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is (2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide
PubChem CID845213
Molecular FormulaC16H19Cl2NO3
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Name(2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide
SMILESC[C@H](C[C@H]1CC(C)(C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H19Cl2NO3/c1-9(6-10-8-16(2,3)22-15(10)21)14(20)19-13-7-11(17)4-5-12(13)18/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,20)/t9-,10+/m1/s1
InChIKeyWEGRZIRJQQGVAM-ZJUUUORDSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.30
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)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide?
The IUPAC name of (2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide (CID 845213) is (2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide.
What is the SMILES notation for (2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide?
The canonical SMILES for (2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide is C[C@H](C[C@H]1CC(C)(C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide?
The InChIKey is WEGRZIRJQQGVAM-ZJUUUORDSA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c1-9(6-10-8-16(2,3)22-15(10)21)14(20)19-13-7-11(17)4-5-12(13)18/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,20)/t9-,10+/m1/s1.
What are the key properties of (2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide?
(2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide has a molecular weight of 344.24 g/mol, XLogP of 4.30, 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)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide is sourced from PubChem (CID 845213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).