N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide

C15H19F2N3O2 — CID 70941297

IUPACN-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(C(=O)NC(=O)C1CCCN1)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3O2/c1-20(2)13(10-6-5-9(16)8-11(10)17)15(22)19-14(21)12-4-3-7-18-12/h5-6,8,12-13,18H,3-4,7H2,1-2H3,(H,19,21,22)
InChIKeyDKXYWCMDMTXBKF-UHFFFAOYSA-N
MW311.33 g/mol
LogP0.96
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide

N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide (PubChem CID 70941297) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide
PubChem CID70941297
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC NameN-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(C(=O)NC(=O)C1CCCN1)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3O2/c1-20(2)13(10-6-5-9(16)8-11(10)17)15(22)19-14(21)12-4-3-7-18-12/h5-6,8,12-13,18H,3-4,7H2,1-2H3,(H,19,21,22)
InChIKeyDKXYWCMDMTXBKF-UHFFFAOYSA-N
XLogP0.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
CID 103808929
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 90178952
(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292618
N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 43703517
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 110481295
(2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide
CID 100642737
N-[1-(2,5-difluorophenyl)ethyl]-N-methylazepane-2-carboxamide
CID 64562272
N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 146156641
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119299959

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide (CID 70941297) is N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide is CN(C)C(C(=O)NC(=O)C1CCCN1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is DKXYWCMDMTXBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-20(2)13(10-6-5-9(16)8-11(10)17)15(22)19-14(21)12-4-3-7-18-12/h5-6,8,12-13,18H,3-4,7H2,1-2H3,(H,19,21,22).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide?
N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 311.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70941297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).