N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C19H18F4N2O — CID 146085152

IUPACN-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F4N2O/c20-14-9-7-13(8-10-14)12-24-18(26)25-11-3-6-17(25)15-4-1-2-5-16(15)19(21,22)23/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,24,26)
InChIKeyFIJFTPOVXHVQHC-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.89
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 146085152) has the molecular formula C19H18F4N2O and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID146085152
Molecular FormulaC19H18F4N2O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F4N2O/c20-14-9-7-13(8-10-14)12-24-18(26)25-11-3-6-17(25)15-4-1-2-5-16(15)19(21,22)23/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,24,26)
InChIKeyFIJFTPOVXHVQHC-UHFFFAOYSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.89
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-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 146085152) is N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCCC1c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is FIJFTPOVXHVQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O/c20-14-9-7-13(8-10-14)12-24-18(26)25-11-3-6-17(25)15-4-1-2-5-16(15)19(21,22)23/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 4.89, 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-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146085152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).