(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide

C22H25Cl2N3O2 — CID 154961412

IUPAC(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@H]1CNC[C@@H]1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H25Cl2N3O2/c23-17-5-1-15(2-6-17)9-11-26-21(28)19-13-25-14-20(19)22(29)27-12-10-16-3-7-18(24)8-4-16/h1-8,19-20,25H,9-14H2,(H,26,28)(H,27,29)/t19-,20-/m0/s1
InChIKeyMHEWPAHKYOHOAP-PMACEKPBSA-N
MW434.37 g/mol
LogP2.85
Rot. Bonds8

About (3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide

(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide (PubChem CID 154961412) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is (3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
PubChem CID154961412
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@H]1CNC[C@@H]1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H25Cl2N3O2/c23-17-5-1-15(2-6-17)9-11-26-21(28)19-13-25-14-20(19)22(29)27-12-10-16-3-7-18(24)8-4-16/h1-8,19-20,25H,9-14H2,(H,26,28)(H,27,29)/t19-,20-/m0/s1
InChIKeyMHEWPAHKYOHOAP-PMACEKPBSA-N
XLogP2.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961395
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
3,4-bis[2-(4-chlorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961386
2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133673
3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 175163144
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide
CID 75158766
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 98538449

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide (CID 154961412) is (3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide is O=C(NCCc1ccc(Cl)cc1)[C@H]1CNC[C@@H]1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of (3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
The InChIKey is MHEWPAHKYOHOAP-PMACEKPBSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c23-17-5-1-15(2-6-17)9-11-26-21(28)19-13-25-14-20(19)22(29)27-12-10-16-3-7-18(24)8-4-16/h1-8,19-20,25H,9-14H2,(H,26,28)(H,27,29)/t19-,20-/m0/s1.
What are the key properties of (3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide?
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide has a molecular weight of 434.37 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 154961412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).