N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide

C18H19FN2O — CID 3412464

IUPACN-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H19FN2O/c1-13-2-4-14(5-3-13)15-10-11-21(12-15)18(22)20-17-8-6-16(19)7-9-17/h2-9,15H,10-12H2,1H3,(H,20,22)
InChIKeyJZPSLWKKLRSTEL-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.16
Rot. Bonds2

About N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide

N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 3412464) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID3412464
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC NameN-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCN(C(=O)Nc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H19FN2O/c1-13-2-4-14(5-3-13)15-10-11-21(12-15)18(22)20-17-8-6-16(19)7-9-17/h2-9,15H,10-12H2,1H3,(H,20,22)
InChIKeyJZPSLWKKLRSTEL-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 3412464) is N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(C2CCN(C(=O)Nc3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is JZPSLWKKLRSTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-13-2-4-14(5-3-13)15-10-11-21(12-15)18(22)20-17-8-6-16(19)7-9-17/h2-9,15H,10-12H2,1H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide?
N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 3412464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).