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

C17H22ClN3O3 — CID 30483231

IUPAC2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NCCCN1CCCC1=O
InChIInChI=1S/C17H22ClN3O3/c18-14-6-2-1-5-13(14)17(24)20-10-8-15(22)19-9-4-12-21-11-3-7-16(21)23/h1-2,5-6H,3-4,7-12H2,(H,19,22)(H,20,24)
InChIKeyVYSBOKPWYFVUNF-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.59
Rot. Bonds8

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

2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide (PubChem CID 30483231) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
PubChem CID30483231
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NCCCN1CCCC1=O
InChIInChI=1S/C17H22ClN3O3/c18-14-6-2-1-5-13(14)17(24)20-10-8-15(22)19-9-4-12-21-11-3-7-16(21)23/h1-2,5-6H,3-4,7-12H2,(H,19,22)(H,20,24)
InChIKeyVYSBOKPWYFVUNF-UHFFFAOYSA-N
XLogP1.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 18161251
2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 35498934
2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
CID 46522177
2-chloro-N-[2-[[N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111146367
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide
CID 9271208
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
2-chloro-4-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 34841380
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 35991644
3-(5-chlorothiophen-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 78886193

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide (CID 30483231) is 2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NCCCN1CCCC1=O.
What is the InChIKey of 2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide?
The InChIKey is VYSBOKPWYFVUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-14-6-2-1-5-13(14)17(24)20-10-8-15(22)19-9-4-12-21-11-3-7-16(21)23/h1-2,5-6H,3-4,7-12H2,(H,19,22)(H,20,24).
What are the key properties of 2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide?
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide has a molecular weight of 351.83 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide is sourced from PubChem (CID 30483231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).