2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

C20H18F3N7O2 — CID 3230282

IUPAC2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1CCCN1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N7O2/c21-20(22,23)15-4-1-2-5-16(15)26-19(32)29-11-3-6-17(29)18(31)25-13-7-9-14(10-8-13)30-12-24-27-28-30/h1-2,4-5,7-10,12,17H,3,6,11H2,(H,25,31)(H,26,32)
InChIKeyJKMAPJVYODHYNS-UHFFFAOYSA-N
MW445.41 g/mol
LogP3.32
Rot. Bonds4

About 2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3230282) has the molecular formula C20H18F3N7O2 and a molecular weight of 445.41 g/mol. Its IUPAC name is 2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3230282
Molecular FormulaC20H18F3N7O2
Molecular Weight445.41 g/mol
Exact Mass445.15
IUPAC Name2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1CCCN1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N7O2/c21-20(22,23)15-4-1-2-5-16(15)26-19(32)29-11-3-6-17(29)18(31)25-13-7-9-14(10-8-13)30-12-24-27-28-30/h1-2,4-5,7-10,12,17H,3,6,11H2,(H,25,31)(H,26,32)
InChIKeyJKMAPJVYODHYNS-UHFFFAOYSA-N
XLogP3.32
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 3230282) is 2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)C1CCCN1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is JKMAPJVYODHYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O2/c21-20(22,23)15-4-1-2-5-16(15)26-19(32)29-11-3-6-17(29)18(31)25-13-7-9-14(10-8-13)30-12-24-27-28-30/h1-2,4-5,7-10,12,17H,3,6,11H2,(H,25,31)(H,26,32).
What are the key properties of 2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 445.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(tetrazol-1-yl)phenyl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).