N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide

C19H21FN2O — CID 50747168

IUPACN-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(C2CCCN2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O/c1-14-4-2-5-16(12-14)18-6-3-11-22(18)19(23)21-13-15-7-9-17(20)10-8-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,23)
InChIKeyYAXXLNIGAUBULU-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.18
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 50747168) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID50747168
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(C2CCCN2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O/c1-14-4-2-5-16(12-14)18-6-3-11-22(18)19(23)21-13-15-7-9-17(20)10-8-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,23)
InChIKeyYAXXLNIGAUBULU-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 50747168) is N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide is Cc1cccc(C2CCCN2C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is YAXXLNIGAUBULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-14-4-2-5-16(12-14)18-6-3-11-22(18)19(23)21-13-15-7-9-17(20)10-8-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50747168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).