N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide

C20H22Cl2N2O — CID 166632323

IUPACN-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H22Cl2N2O/c1-24-12-2-3-19(24)20(25)23-11-10-14-4-6-15(7-5-14)16-8-9-17(21)18(22)13-16/h4-9,13,19H,2-3,10-12H2,1H3,(H,23,25)
InChIKeyNLHCLIAZEMNQJD-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.41
Rot. Bonds5

About N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide

N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 166632323) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID166632323
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC NameN-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H22Cl2N2O/c1-24-12-2-3-19(24)20(25)23-11-10-14-4-6-15(7-5-14)16-8-9-17(21)18(22)13-16/h4-9,13,19H,2-3,10-12H2,1H3,(H,23,25)
InChIKeyNLHCLIAZEMNQJD-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide (CID 166632323) is N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is NLHCLIAZEMNQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-24-12-2-3-19(24)20(25)23-11-10-14-4-6-15(7-5-14)16-8-9-17(21)18(22)13-16/h4-9,13,19H,2-3,10-12H2,1H3,(H,23,25).
What are the key properties of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide?
N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 166632323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).