2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide

C12H13Cl2N3O3 — CID 2997767

IUPAC2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESNC(=O)N1CC(O)CC1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3O3/c13-8-2-1-6(3-9(8)14)16-11(19)10-4-7(18)5-17(10)12(15)20/h1-3,7,10,18H,4-5H2,(H2,15,20)(H,16,19)
InChIKeyFIQQIPHKDSOREA-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.45
Rot. Bonds2

About 2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide

2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide (PubChem CID 2997767) has the molecular formula C12H13Cl2N3O3 and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
PubChem CID2997767
Molecular FormulaC12H13Cl2N3O3
Molecular Weight318.16 g/mol
Exact Mass317.03
IUPAC Name2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESNC(=O)N1CC(O)CC1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3O3/c13-8-2-1-6(3-9(8)14)16-11(19)10-4-7(18)5-17(10)12(15)20/h1-3,7,10,18H,4-5H2,(H2,15,20)(H,16,19)
InChIKeyFIQQIPHKDSOREA-UHFFFAOYSA-N
XLogP1.45
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide (CID 2997767) is 2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide is NC(=O)N1CC(O)CC1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
The InChIKey is FIQQIPHKDSOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O3/c13-8-2-1-6(3-9(8)14)16-11(19)10-4-7(18)5-17(10)12(15)20/h1-3,7,10,18H,4-5H2,(H2,15,20)(H,16,19).
What are the key properties of 2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide has a molecular weight of 318.16 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dichlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 2997767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).