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

C18H18ClFN2O — CID 50747203

IUPAC2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClFN2O/c19-15-7-5-14(6-8-15)17-2-1-11-22(17)18(23)21-12-13-3-9-16(20)10-4-13/h3-10,17H,1-2,11-12H2,(H,21,23)
InChIKeyKVNGERLQRVTSGS-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.53
Rot. Bonds3

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

2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 50747203) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID50747203
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClFN2O/c19-15-7-5-14(6-8-15)17-2-1-11-22(17)18(23)21-12-13-3-9-16(20)10-4-13/h3-10,17H,1-2,11-12H2,(H,21,23)
InChIKeyKVNGERLQRVTSGS-UHFFFAOYSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (CID 50747203) is 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is KVNGERLQRVTSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c19-15-7-5-14(6-8-15)17-2-1-11-22(17)18(23)21-12-13-3-9-16(20)10-4-13/h3-10,17H,1-2,11-12H2,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 332.81 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 50747203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).