1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one

C21H25ClN2O2 — CID 17211906

IUPAC1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O2/c22-19-8-4-18(5-9-19)16-26-20-10-6-17(7-11-20)15-23-12-2-14-24-13-1-3-21(24)25/h4-11,23H,1-3,12-16H2
InChIKeySPZNEQUCGCATQL-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.02
Rot. Bonds9

About 1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one

1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 17211906) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
PubChem CID17211906
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O2/c22-19-8-4-18(5-9-19)16-26-20-10-6-17(7-11-20)15-23-12-2-14-24-13-1-3-21(24)25/h4-11,23H,1-3,12-16H2
InChIKeySPZNEQUCGCATQL-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 11381752
1-[3-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211992
1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 11303543
1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 10292088
1-[3-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212007
N'-[(4-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 18588547
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one
CID 70380945
1-[3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212137
1-[3-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212147

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one (CID 17211906) is 1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNCc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is SPZNEQUCGCATQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-19-8-4-18(5-9-19)16-26-20-10-6-17(7-11-20)15-23-12-2-14-24-13-1-3-21(24)25/h4-11,23H,1-3,12-16H2.
What are the key properties of 1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one?
1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 372.90 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 17211906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).