N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide

C18H18Cl2N2O — CID 3412463

IUPACN-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C18H18Cl2N2O/c1-12-2-4-13(5-3-12)14-8-9-22(11-14)18(23)21-15-6-7-16(19)17(20)10-15/h2-7,10,14H,8-9,11H2,1H3,(H,21,23)
InChIKeyQTQNLCUJHPYSJM-UHFFFAOYSA-N
MW349.26 g/mol
LogP5.32
Rot. Bonds2

About N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide

N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 3412463) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID3412463
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC NameN-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C18H18Cl2N2O/c1-12-2-4-13(5-3-12)14-8-9-22(11-14)18(23)21-15-6-7-16(19)17(20)10-15/h2-7,10,14H,8-9,11H2,1H3,(H,21,23)
InChIKeyQTQNLCUJHPYSJM-UHFFFAOYSA-N
XLogP5.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 3412463) is N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(C2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is QTQNLCUJHPYSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-12-2-4-13(5-3-12)14-8-9-22(11-14)18(23)21-15-6-7-16(19)17(20)10-15/h2-7,10,14H,8-9,11H2,1H3,(H,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 349.26 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 3412463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).