1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide

C20H22ClN3O2 — CID 3219673

IUPAC1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O2/c21-16-8-10-17(11-9-16)23-20(26)24-14-4-7-18(24)19(25)22-13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25)(H,23,26)
InChIKeyRCWRLQDTAQGUSZ-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.70
Rot. Bonds5

About 1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219673) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219673
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O2/c21-16-8-10-17(11-9-16)23-20(26)24-14-4-7-18(24)19(25)22-13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25)(H,23,26)
InChIKeyRCWRLQDTAQGUSZ-UHFFFAOYSA-N
XLogP3.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

US10676431, Example 25
CID 139450967
3-[2-(Butylamino)ethyl]-8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23383556
R-6890 (spirochlorphine)
CID 14783734
8-[(2,6-Dichlorophenyl)methyl]-3-[2-(methylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190599
8-[(2,6-Dichlorophenyl)methyl]-3-[2-(ethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190600
8-[(2,6-Dichlorophenyl)methyl]-1-phenyl-3-[2-(propan-2-ylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190601
3-[2-(Cyclobutylamino)ethyl]-8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190603
8-[(2,6-Dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190604
8-[Bis(2-chlorophenyl)methyl]-3-[2-(methylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 9806799
8-[Bis(2-chlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 9934232
1-(4-Chloro-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-urea
CID 10414170
US10676431, Example 70
CID 139454921

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide (CID 3219673) is 1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is RCWRLQDTAQGUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-16-8-10-17(11-9-16)23-20(26)24-14-4-7-18(24)19(25)22-13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25)(H,23,26).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).