2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide

C12H14Cl2N2O2 — CID 165397541

IUPAC2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide
SMILESNC(=O)CC1CN[C@@H](c2cc(Cl)c(Cl)cc2O)C1
InChIInChI=1S/C12H14Cl2N2O2/c13-8-3-7(11(17)4-9(8)14)10-1-6(5-16-10)2-12(15)18/h3-4,6,10,16-17H,1-2,5H2,(H2,15,18)/t6?,10-/m1/s1
InChIKeyQCVXCCRKWXPYMA-PHUNFMHTSA-N
MW289.16 g/mol
LogP2.22
Rot. Bonds3

About 2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide

2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide (PubChem CID 165397541) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide
PubChem CID165397541
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide
SMILESNC(=O)CC1CN[C@@H](c2cc(Cl)c(Cl)cc2O)C1
InChIInChI=1S/C12H14Cl2N2O2/c13-8-3-7(11(17)4-9(8)14)10-1-6(5-16-10)2-12(15)18/h3-4,6,10,16-17H,1-2,5H2,(H2,15,18)/t6?,10-/m1/s1
InChIKeyQCVXCCRKWXPYMA-PHUNFMHTSA-N
XLogP2.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide (CID 165397541) is 2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide is NC(=O)CC1CN[C@@H](c2cc(Cl)c(Cl)cc2O)C1.
What is the InChIKey of 2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is QCVXCCRKWXPYMA-PHUNFMHTSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-8-3-7(11(17)4-9(8)14)10-1-6(5-16-10)2-12(15)18/h3-4,6,10,16-17H,1-2,5H2,(H2,15,18)/t6?,10-/m1/s1.
What are the key properties of 2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide?
2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 289.16 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 165397541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).