3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide

C17H24ClN3O3 — CID 91832374

IUPAC3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide
SMILESCN(C)CCN1C(=O)CCC1CCNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C17H24ClN3O3/c1-20(2)9-10-21-13(4-6-16(21)23)7-8-19-17(24)12-3-5-15(22)14(18)11-12/h3,5,11,13,22H,4,6-10H2,1-2H3,(H,19,24)
InChIKeyKLCIXODZEQNZIT-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.72
Rot. Bonds7

About 3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide

3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide (PubChem CID 91832374) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide
PubChem CID91832374
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide
SMILESCN(C)CCN1C(=O)CCC1CCNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C17H24ClN3O3/c1-20(2)9-10-21-13(4-6-16(21)23)7-8-19-17(24)12-3-5-15(22)14(18)11-12/h3,5,11,13,22H,4,6-10H2,1-2H3,(H,19,24)
InChIKeyKLCIXODZEQNZIT-UHFFFAOYSA-N
XLogP1.72
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]benzamide
CID 125172622
N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 99954907
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]-6-methoxypyridine-3-carboxamide
CID 118782972
N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-6-methoxypyridine-3-carboxamide
CID 125165325
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-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-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72877016
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]urea
CID 97433822
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide
CID 103221269

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide (CID 91832374) is 3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide is CN(C)CCN1C(=O)CCC1CCNC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide?
The InChIKey is KLCIXODZEQNZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-20(2)9-10-21-13(4-6-16(21)23)7-8-19-17(24)12-3-5-15(22)14(18)11-12/h3,5,11,13,22H,4,6-10H2,1-2H3,(H,19,24).
What are the key properties of 3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide?
3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide has a molecular weight of 353.85 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4-hydroxybenzamide is sourced from PubChem (CID 91832374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).