(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C16H20Cl2N2O4 — CID 96525589

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)CN1CCCC1=O
InChIInChI=1S/C16H20Cl2N2O4/c1-10(24-14-5-4-11(17)7-13(14)18)16(23)19-8-12(21)9-20-6-2-3-15(20)22/h4-5,7,10,12,21H,2-3,6,8-9H2,1H3,(H,19,23)/t10-,12+/m0/s1
InChIKeyINGNOFWWKHYIKN-CMPLNLGQSA-N
MW375.25 g/mol
LogP1.86
Rot. Bonds7

About (2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 96525589) has the molecular formula C16H20Cl2N2O4 and a molecular weight of 375.25 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID96525589
Molecular FormulaC16H20Cl2N2O4
Molecular Weight375.25 g/mol
Exact Mass374.08
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)CN1CCCC1=O
InChIInChI=1S/C16H20Cl2N2O4/c1-10(24-14-5-4-11(17)7-13(14)18)16(23)19-8-12(21)9-20-6-2-3-15(20)22/h4-5,7,10,12,21H,2-3,6,8-9H2,1H3,(H,19,23)/t10-,12+/m0/s1
InChIKeyINGNOFWWKHYIKN-CMPLNLGQSA-N
XLogP1.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 42992476
3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66165822
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane
CID 144509414
(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538013
(2S)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538015
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
N-(cyclododecylideneamino)-2-(2,4-dichlorophenoxy)propanamide
CID 4220293
2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724609

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 96525589) is (2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)CN1CCCC1=O.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is INGNOFWWKHYIKN-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H20Cl2N2O4/c1-10(24-14-5-4-11(17)7-13(14)18)16(23)19-8-12(21)9-20-6-2-3-15(20)22/h4-5,7,10,12,21H,2-3,6,8-9H2,1H3,(H,19,23)/t10-,12+/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 375.25 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 96525589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).