N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide

C22H26Cl2N2O — CID 138744601

IUPACN,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)CC1NCC(c2cccc(Cl)c2)C1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H26Cl2N2O/c1-22(2,3)12-19-20(21(27)26-17-9-5-8-16(24)11-17)18(13-25-19)14-6-4-7-15(23)10-14/h4-11,18-20,25H,12-13H2,1-3H3,(H,26,27)
InChIKeyZIPDDWOCVUWCOV-UHFFFAOYSA-N
MW405.37 g/mol
LogP5.74
Rot. Bonds4

About N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide

N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide (PubChem CID 138744601) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide
PubChem CID138744601
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC NameN,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)CC1NCC(c2cccc(Cl)c2)C1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H26Cl2N2O/c1-22(2,3)12-19-20(21(27)26-17-9-5-8-16(24)11-17)18(13-25-19)14-6-4-7-15(23)10-14/h4-11,18-20,25H,12-13H2,1-3H3,(H,26,27)
InChIKeyZIPDDWOCVUWCOV-UHFFFAOYSA-N
XLogP5.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide
CID 145021337
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
(3R,5R)-N,3-bis(3-chlorophenyl)-5-(5-methylcyclohexa-2,4-dien-1-yl)-7-oxoazepane-4-carboxamide
CID 70639487
4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide;4-formamido-3-methoxybenzoic acid
CID 145021336
CID 123727796
CID 123727796
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
(2S,4R)-N,4-bis(3-chlorophenyl)-2-(2-hydroxy-5-methylphenyl)-6-oxopiperidine-3-carboxamide;ethane
CID 143819886
(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
3-[(3-chlorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 17386945
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
5-(3-chlorophenyl)-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 74623711
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150

Frequently Asked Questions

What is the IUPAC name of N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide (CID 138744601) is N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide is CC(C)(C)CC1NCC(c2cccc(Cl)c2)C1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is ZIPDDWOCVUWCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/c1-22(2,3)12-19-20(21(27)26-17-9-5-8-16(24)11-17)18(13-25-19)14-6-4-7-15(23)10-14/h4-11,18-20,25H,12-13H2,1-3H3,(H,26,27).
What are the key properties of N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide?
N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 405.37 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 138744601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).