2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

C19H20ClN3O2 — CID 3221287

IUPAC2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H20ClN3O2/c20-16-10-5-4-7-14(16)13-21-18(24)17-11-6-12-23(17)19(25)22-15-8-2-1-3-9-15/h1-5,7-10,17H,6,11-13H2,(H,21,24)(H,22,25)
InChIKeyXFXAMIBLPVSEJE-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.65
Rot. Bonds4

About 2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 3221287) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID3221287
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H20ClN3O2/c20-16-10-5-4-7-14(16)13-21-18(24)17-11-6-12-23(17)19(25)22-15-8-2-1-3-9-15/h1-5,7-10,17H,6,11-13H2,(H,21,24)(H,22,25)
InChIKeyXFXAMIBLPVSEJE-UHFFFAOYSA-N
XLogP3.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 3221287) is 2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(NCc1ccccc1Cl)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is XFXAMIBLPVSEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-16-10-5-4-7-14(16)13-21-18(24)17-11-6-12-23(17)19(25)22-15-8-2-1-3-9-15/h1-5,7-10,17H,6,11-13H2,(H,21,24)(H,22,25).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).