2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C13H15ClN2O3 — CID 155558517

IUPAC2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCc1cc(Cl)ccc1NCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C13H15ClN2O3/c1-8-6-9(14)2-3-10(8)15-7-12(17)16-11-4-5-19-13(11)18/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyLRKWTHYQMLUMCH-NSHDSACASA-N
MW282.73 g/mol
LogP1.49
Rot. Bonds4

About 2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 155558517) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID155558517
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCc1cc(Cl)ccc1NCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C13H15ClN2O3/c1-8-6-9(14)2-3-10(8)15-7-12(17)16-11-4-5-19-13(11)18/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyLRKWTHYQMLUMCH-NSHDSACASA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 155541671
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
5-chloro-2-hydroxy-N-(2-oxooxolan-3-yl)benzamide
CID 43824572
2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide
CID 43822721
2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide
CID 63100059
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148
methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide
CID 159463313
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
N-cyclopentyl-2-(2,4-dichloroanilino)acetamide
CID 28572342
2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 155558517) is 2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide is Cc1cc(Cl)ccc1NCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is LRKWTHYQMLUMCH-NSHDSACASA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-8-6-9(14)2-3-10(8)15-7-12(17)16-11-4-5-19-13(11)18/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 282.73 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 155558517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).