N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide

C17H23F2N3O2 — CID 125171691

IUPACN-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide
SMILESCN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2N3O2/c1-21(2)9-10-22-13(4-6-16(22)23)7-8-20-17(24)14-5-3-12(18)11-15(14)19/h3,5,11,13H,4,6-10H2,1-2H3,(H,20,24)/t13-/m1/s1
InChIKeyOEOOBNIWIBGJLQ-CYBMUJFWSA-N
MW339.39 g/mol
LogP1.64
Rot. Bonds7

About N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide

N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide (PubChem CID 125171691) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide
PubChem CID125171691
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide
SMILESCN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2N3O2/c1-21(2)9-10-22-13(4-6-16(22)23)7-8-20-17(24)14-5-3-12(18)11-15(14)19/h3,5,11,13H,4,6-10H2,1-2H3,(H,20,24)/t13-/m1/s1
InChIKeyOEOOBNIWIBGJLQ-CYBMUJFWSA-N
XLogP1.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide
CID 118791949
2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide
CID 125172622
5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 118782633
3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide
CID 91832374
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]urea
CID 97433822
N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 99954907
2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide
CID 96506293
1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea
CID 97452959
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide
CID 51130080
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide
CID 51102133

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide (CID 125171691) is N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide is CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide?
The InChIKey is OEOOBNIWIBGJLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-21(2)9-10-22-13(4-6-16(22)23)7-8-20-17(24)14-5-3-12(18)11-15(14)19/h3,5,11,13H,4,6-10H2,1-2H3,(H,20,24)/t13-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide?
N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide has a molecular weight of 339.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 125171691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).