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N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide

C15H18Cl2N2O — CID 166602867

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H18Cl2N2O/c16-12-2-1-10(14(17)7-12)8-19-6-5-11(9-19)15(20)18-13-3-4-13/h1-2,7,11,13H,3-6,8-9H2,(H,18,20)
InChIKeyQLSOQFINJBBIFQ-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.09
Rot. Bonds4

About N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide

N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 166602867) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID166602867
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC NameN-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H18Cl2N2O/c16-12-2-1-10(14(17)7-12)8-19-6-5-11(9-19)15(20)18-13-3-4-13/h1-2,7,11,13H,3-6,8-9H2,(H,18,20)
InChIKeyQLSOQFINJBBIFQ-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide (CID 166602867) is N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide is O=C(NC1CC1)C1CCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is QLSOQFINJBBIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-12-2-1-10(14(17)7-12)8-19-6-5-11(9-19)15(20)18-13-3-4-13/h1-2,7,11,13H,3-6,8-9H2,(H,18,20).
What are the key properties of N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide?
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 313.23 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 166602867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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