(2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide

C13H14Cl2N2O3 — CID 10193267

IUPAC(2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide
SMILESC[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NC1COC(=O)C1
InChIInChI=1S/C13H14Cl2N2O3/c1-7(13(19)17-9-5-12(18)20-6-9)16-8-2-3-10(14)11(15)4-8/h2-4,7,9,16H,5-6H2,1H3,(H,17,19)/t7-,9?/m0/s1
InChIKeyRIPUNHSQNXBTRK-JAVCKPHESA-N
MW317.17 g/mol
LogP2.23
Rot. Bonds4

About (2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide

(2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide (PubChem CID 10193267) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is (2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide
PubChem CID10193267
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name(2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide
SMILESC[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NC1COC(=O)C1
InChIInChI=1S/C13H14Cl2N2O3/c1-7(13(19)17-9-5-12(18)20-6-9)16-8-2-3-10(14)11(15)4-8/h2-4,7,9,16H,5-6H2,1H3,(H,17,19)/t7-,9?/m0/s1
InChIKeyRIPUNHSQNXBTRK-JAVCKPHESA-N
XLogP2.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
(2R)-2-(3,4-dichloroanilino)propanehydrazide
CID 946902
3-amino-4-[2-(3,4-dichloroanilino)propanoyl]oxolan-2-one
CID 141000619
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671
2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
CID 78907261
methyl 2-[2-(3,4-dichloroanilino)propanoylamino]propanoate
CID 18380258
2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide
CID 43168430
N-cyclopropyl-2-(2,5-dichloroanilino)propanamide
CID 43083853
3-(3,4-dichloroanilino)-2-methylbutan-2-ol
CID 65333174
2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide
CID 51281599

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide?
The IUPAC name of (2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide (CID 10193267) is (2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide?
The canonical SMILES for (2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide is C[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NC1COC(=O)C1.
What is the InChIKey of (2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide?
The InChIKey is RIPUNHSQNXBTRK-JAVCKPHESA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c1-7(13(19)17-9-5-12(18)20-6-9)16-8-2-3-10(14)11(15)4-8/h2-4,7,9,16H,5-6H2,1H3,(H,17,19)/t7-,9?/m0/s1.
What are the key properties of (2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide?
(2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide has a molecular weight of 317.17 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide is sourced from PubChem (CID 10193267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).