4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C16H20ClN3O3 — CID 9163408

IUPAC4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCCNC(=O)CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C16H20ClN3O3/c1-2-7-18-14(21)10-19-16(23)11-5-6-12(17)13(9-11)20-8-3-4-15(20)22/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,23)
InChIKeyUHHQTIQOKSNTFP-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.72
Rot. Bonds6

About 4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9163408) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9163408
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCCNC(=O)CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C16H20ClN3O3/c1-2-7-18-14(21)10-19-16(23)11-5-6-12(17)13(9-11)20-8-3-4-15(20)22/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,23)
InChIKeyUHHQTIQOKSNTFP-UHFFFAOYSA-N
XLogP1.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9297692
4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 154773860
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
N-[2-oxo-2-(propylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9163457
4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9161741
N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046061
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9273089
4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 9032786
N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9157940
4-chloro-N'-(cyclohexanecarbonyl)-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9327303

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9163408) is 4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CCCNC(=O)CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is UHHQTIQOKSNTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-2-7-18-14(21)10-19-16(23)11-5-6-12(17)13(9-11)20-8-3-4-15(20)22/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 337.81 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9163408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).