N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide

C17H16Cl2N2O — CID 5065356

IUPACN-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H16Cl2N2O/c18-15-7-6-14(10-16(15)19)20-17(22)21-9-8-13(11-21)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2,(H,20,22)
InChIKeyMVZPGQMXAAHSIF-UHFFFAOYSA-N
MW335.23 g/mol
LogP5.01
Rot. Bonds2

About N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide

N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide (PubChem CID 5065356) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide
PubChem CID5065356
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC NameN-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H16Cl2N2O/c18-15-7-6-14(10-16(15)19)20-17(22)21-9-8-13(11-21)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2,(H,20,22)
InChIKeyMVZPGQMXAAHSIF-UHFFFAOYSA-N
XLogP5.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.23
LogP ≤ 55.01
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-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide (CID 5065356) is N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is MVZPGQMXAAHSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-15-7-6-14(10-16(15)19)20-17(22)21-9-8-13(11-21)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide?
N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 335.23 g/mol, XLogP of 5.01, 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-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 5065356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).