(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide

C14H17Cl2NO4 — CID 100680844

IUPAC(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide
SMILESO=C(N[C@]1(CCO)CCOC1)[C@H](O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2NO4/c15-10-5-9(6-11(16)7-10)12(19)13(20)17-14(1-3-18)2-4-21-8-14/h5-7,12,18-19H,1-4,8H2,(H,17,20)/t12-,14-/m1/s1
InChIKeyUVMFRXFVAJVNFE-TZMCWYRMSA-N
MW334.20 g/mol
LogP1.68
Rot. Bonds5

About (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide

(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide (PubChem CID 100680844) has the molecular formula C14H17Cl2NO4 and a molecular weight of 334.20 g/mol. Its IUPAC name is (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide
PubChem CID100680844
Molecular FormulaC14H17Cl2NO4
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide
SMILESO=C(N[C@]1(CCO)CCOC1)[C@H](O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2NO4/c15-10-5-9(6-11(16)7-10)12(19)13(20)17-14(1-3-18)2-4-21-8-14/h5-7,12,18-19H,1-4,8H2,(H,17,20)/t12-,14-/m1/s1
InChIKeyUVMFRXFVAJVNFE-TZMCWYRMSA-N
XLogP1.68
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide?
The IUPAC name of (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide (CID 100680844) is (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide?
The canonical SMILES for (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide is O=C(N[C@]1(CCO)CCOC1)[C@H](O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide?
The InChIKey is UVMFRXFVAJVNFE-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H17Cl2NO4/c15-10-5-9(6-11(16)7-10)12(19)13(20)17-14(1-3-18)2-4-21-8-14/h5-7,12,18-19H,1-4,8H2,(H,17,20)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide?
(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide has a molecular weight of 334.20 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(3R)-3-(2-hydroxyethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 100680844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).