1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide

C21H23ClN2O3 — CID 2927317

IUPAC1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H23ClN2O3/c1-2-11-23-21(26)16-12-20(25)24(13-16)18-7-9-19(10-8-18)27-14-15-3-5-17(22)6-4-15/h3-10,16H,2,11-14H2,1H3,(H,23,26)
InChIKeyLRIIHVZQWQYWJG-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.80
Rot. Bonds7

About 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide

1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 2927317) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID2927317
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H23ClN2O3/c1-2-11-23-21(26)16-12-20(25)24(13-16)18-7-9-19(10-8-18)27-14-15-3-5-17(22)6-4-15/h3-10,16H,2,11-14H2,1H3,(H,23,26)
InChIKeyLRIIHVZQWQYWJG-UHFFFAOYSA-N
XLogP3.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sembragiline
CID 10246762
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655390
1-[4-[2-(Benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2957197
1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 3153845
N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3153910
N-(4-chlorophenyl)-N'-(4-methoxybenzyl)butanediamide
CID 3968274
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide
CID 4883620
N-[2-(4-Chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 580158
Methyl 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 616398
5-oxo-N-(propan-2-yl)-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 651536

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 2927317) is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is LRIIHVZQWQYWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-2-11-23-21(26)16-12-20(25)24(13-16)18-7-9-19(10-8-18)27-14-15-3-5-17(22)6-4-15/h3-10,16H,2,11-14H2,1H3,(H,23,26).
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2927317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).