(2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H19F2N3O2 — CID 72839067

IUPAC(2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCN(C)[C@@H]1C[C@@H](CO)N(C(=O)Nc2cccc(F)c2F)C1
InChIInChI=1S/C14H19F2N3O2/c1-18(2)9-6-10(8-20)19(7-9)14(21)17-12-5-3-4-11(15)13(12)16/h3-5,9-10,20H,6-8H2,1-2H3,(H,17,21)/t9-,10+/m1/s1
InChIKeyDKLLYXPNGMQSGD-ZJUUUORDSA-N
MW299.32 g/mol
LogP1.49
Rot. Bonds3

About (2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 72839067) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is (2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID72839067
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCN(C)[C@@H]1C[C@@H](CO)N(C(=O)Nc2cccc(F)c2F)C1
InChIInChI=1S/C14H19F2N3O2/c1-18(2)9-6-10(8-20)19(7-9)14(21)17-12-5-3-4-11(15)13(12)16/h3-5,9-10,20H,6-8H2,1-2H3,(H,17,21)/t9-,10+/m1/s1
InChIKeyDKLLYXPNGMQSGD-ZJUUUORDSA-N
XLogP1.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 72839067) is (2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CN(C)[C@@H]1C[C@@H](CO)N(C(=O)Nc2cccc(F)c2F)C1.
What is the InChIKey of (2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is DKLLYXPNGMQSGD-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-18(2)9-6-10(8-20)19(7-9)14(21)17-12-5-3-4-11(15)13(12)16/h3-5,9-10,20H,6-8H2,1-2H3,(H,17,21)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 299.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(2,3-difluorophenyl)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72839067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).