1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide

C25H23ClN2O3 — CID 17080898

IUPAC1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2=O)cc1Cl
InChIInChI=1S/C25H23ClN2O3/c1-17-7-10-21(14-23(17)26)28-15-19(13-24(28)29)25(30)27-20-8-11-22(12-9-20)31-16-18-5-3-2-4-6-18/h2-12,14,19H,13,15-16H2,1H3,(H,27,30)
InChIKeyOLPLXKOCGJUOCO-UHFFFAOYSA-N
MW434.92 g/mol
LogP5.22
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide

1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 17080898) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID17080898
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2=O)cc1Cl
InChIInChI=1S/C25H23ClN2O3/c1-17-7-10-21(14-23(17)26)28-15-19(13-24(28)29)25(30)27-20-8-11-22(12-9-20)31-16-18-5-3-2-4-6-18/h2-12,14,19H,13,15-16H2,1H3,(H,27,30)
InChIKeyOLPLXKOCGJUOCO-UHFFFAOYSA-N
XLogP5.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 987488
5-oxo-1-phenyl-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080562
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1330971
(3R)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7316360
1-(3-chloro-4-methylphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 3153872
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 6462969
1-(3-chloro-4-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187821
N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080885
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
1-(1,3-benzodioxol-5-yl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108791309
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 9352164
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide (CID 17080898) is 1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is OLPLXKOCGJUOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-17-7-10-21(14-23(17)26)28-15-19(13-24(28)29)25(30)27-20-8-11-22(12-9-20)31-16-18-5-3-2-4-6-18/h2-12,14,19H,13,15-16H2,1H3,(H,27,30).
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 434.92 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 17080898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).