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

C19H19ClFN3O2 — CID 3221226

IUPAC2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H19ClFN3O2/c20-14-5-3-13(4-6-14)12-22-18(25)17-2-1-11-24(17)19(26)23-16-9-7-15(21)8-10-16/h3-10,17H,1-2,11-12H2,(H,22,25)(H,23,26)
InChIKeyNHQXWMVUVSLQFH-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.79
Rot. Bonds4

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

2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3221226) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3221226
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H19ClFN3O2/c20-14-5-3-13(4-6-14)12-22-18(25)17-2-1-11-24(17)19(26)23-16-9-7-15(21)8-10-16/h3-10,17H,1-2,11-12H2,(H,22,25)(H,23,26)
InChIKeyNHQXWMVUVSLQFH-UHFFFAOYSA-N
XLogP3.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (CID 3221226) is 2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide is O=C(NCc1ccc(Cl)cc1)C1CCCN1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is NHQXWMVUVSLQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c20-14-5-3-13(4-6-14)12-22-18(25)17-2-1-11-24(17)19(26)23-16-9-7-15(21)8-10-16/h3-10,17H,1-2,11-12H2,(H,22,25)(H,23,26).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 375.83 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).