2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide

C17H23Cl2N3O2 — CID 125172622

IUPAC2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide
SMILESCN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H23Cl2N3O2/c1-21(2)10-11-22-12(6-7-15(22)23)8-9-20-17(24)16-13(18)4-3-5-14(16)19/h3-5,12H,6-11H2,1-2H3,(H,20,24)/t12-/m0/s1
InChIKeyZGDDBWIVASPYBF-LBPRGKRZSA-N
MW372.30 g/mol
LogP2.67
Rot. Bonds7

About 2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide

2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide (PubChem CID 125172622) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide
PubChem CID125172622
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC Name2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide
SMILESCN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H23Cl2N3O2/c1-21(2)10-11-22-12(6-7-15(22)23)8-9-20-17(24)16-13(18)4-3-5-14(16)19/h3-5,12H,6-11H2,1-2H3,(H,20,24)/t12-/m0/s1
InChIKeyZGDDBWIVASPYBF-LBPRGKRZSA-N
XLogP2.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide
CID 91832374
5-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 118782633
N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide
CID 118791949
N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97118333
N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide
CID 125171691
N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72877016
N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-6-methoxypyridine-3-carboxamide
CID 118782972
N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-6-methoxypyridine-3-carboxamide
CID 125165325
1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea
CID 97452959
N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 99954907
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]urea
CID 97433822
(5R)-1-[2-(dimethylamino)ethyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 125163911

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide (CID 125172622) is 2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide is CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is ZGDDBWIVASPYBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c1-21(2)10-11-22-12(6-7-15(22)23)8-9-20-17(24)16-13(18)4-3-5-14(16)19/h3-5,12H,6-11H2,1-2H3,(H,20,24)/t12-/m0/s1.
What are the key properties of 2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide?
2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 372.30 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 125172622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).