(2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide

C15H17Cl2NO3 — CID 98164978

IUPAC(2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide
SMILESC[C@@H]1C[C@@H](C[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C(=O)O1
InChIInChI=1S/C15H17Cl2NO3/c1-8(5-10-6-9(2)21-15(10)20)14(19)18-13-4-3-11(16)7-12(13)17/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)/t8-,9+,10+/m0/s1
InChIKeyLBCZDKHOYGQIOO-IVZWLZJFSA-N
MW330.21 g/mol
LogP3.91
Rot. Bonds4

About (2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide

(2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide (PubChem CID 98164978) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is (2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide
PubChem CID98164978
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name(2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide
SMILESC[C@@H]1C[C@@H](C[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C(=O)O1
InChIInChI=1S/C15H17Cl2NO3/c1-8(5-10-6-9(2)21-15(10)20)14(19)18-13-4-3-11(16)7-12(13)17/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)/t8-,9+,10+/m0/s1
InChIKeyLBCZDKHOYGQIOO-IVZWLZJFSA-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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Related Compounds

(2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide
CID 7454797
(2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide
CID 845213
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171
1-N-butan-2-yl-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131774
N-(2,4-dichlorophenyl)-2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propanamide
CID 3748550
N-(2,4-dichlorophenyl)-2-[(2-methylcyclohexyl)amino]propanamide
CID 78636184
(2S)-N-(2,4-dichlorophenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25360069
2-N-(2,4-dichlorophenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130797
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide?
The IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide (CID 98164978) is (2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide.
What is the SMILES notation for (2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide?
The canonical SMILES for (2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide is C[C@@H]1C[C@@H](C[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C(=O)O1.
What is the InChIKey of (2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide?
The InChIKey is LBCZDKHOYGQIOO-IVZWLZJFSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-8(5-10-6-9(2)21-15(10)20)14(19)18-13-4-3-11(16)7-12(13)17/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)/t8-,9+,10+/m0/s1.
What are the key properties of (2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide?
(2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-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 (2S)-N-(2,4-dichlorophenyl)-2-methyl-3-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]propanamide is sourced from PubChem (CID 98164978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).