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

C17H22ClN3O3 — CID 18161251

IUPAC4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCCCN1CCCC1=O
InChIInChI=1S/C17H22ClN3O3/c18-14-6-4-13(5-7-14)17(24)20-10-8-15(22)19-9-2-12-21-11-1-3-16(21)23/h4-7H,1-3,8-12H2,(H,19,22)(H,20,24)
InChIKeyBMBPQTISYAWGIE-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.59
Rot. Bonds8

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

4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide (PubChem CID 18161251) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
PubChem CID18161251
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCCCN1CCCC1=O
InChIInChI=1S/C17H22ClN3O3/c18-14-6-4-13(5-7-14)17(24)20-10-8-15(22)19-9-2-12-21-11-1-3-16(21)23/h4-7H,1-3,8-12H2,(H,19,22)(H,20,24)
InChIKeyBMBPQTISYAWGIE-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

2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
3,5-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802475
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
N'-[(4-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 18588547
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
3-(5-chlorothiophen-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 78886193
2-(4-chlorophenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78779568

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide (CID 18161251) is 4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NCCCN1CCCC1=O.
What is the InChIKey of 4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide?
The InChIKey is BMBPQTISYAWGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-14-6-4-13(5-7-14)17(24)20-10-8-15(22)19-9-2-12-21-11-1-3-16(21)23/h4-7H,1-3,8-12H2,(H,19,22)(H,20,24).
What are the key properties of 4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide?
4-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 4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide is sourced from PubChem (CID 18161251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).