(2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C20H18ClF3N6O — CID 25253284

IUPAC(2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nnnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClF3N6O/c21-15-7-3-13(4-8-15)12-30-18(26-27-28-30)17-2-1-11-29(17)19(31)25-16-9-5-14(6-10-16)20(22,23)24/h3-10,17H,1-2,11-12H2,(H,25,31)/t17-/m1/s1
InChIKeyUZGGVASWAMSMGY-QGZVFWFLSA-N
MW450.85 g/mol
LogP4.76
Rot. Bonds4

About (2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

(2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 25253284) has the molecular formula C20H18ClF3N6O and a molecular weight of 450.85 g/mol. Its IUPAC name is (2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID25253284
Molecular FormulaC20H18ClF3N6O
Molecular Weight450.85 g/mol
Exact Mass450.12
IUPAC Name(2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nnnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClF3N6O/c21-15-7-3-13(4-8-15)12-30-18(26-27-28-30)17-2-1-11-29(17)19(31)25-16-9-5-14(6-10-16)20(22,23)24/h3-10,17H,1-2,11-12H2,(H,25,31)/t17-/m1/s1
InChIKeyUZGGVASWAMSMGY-QGZVFWFLSA-N
XLogP4.76
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.85
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 25253284) is (2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nnnn1Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is UZGGVASWAMSMGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18ClF3N6O/c21-15-7-3-13(4-8-15)12-30-18(26-27-28-30)17-2-1-11-29(17)19(31)25-16-9-5-14(6-10-16)20(22,23)24/h3-10,17H,1-2,11-12H2,(H,25,31)/t17-/m1/s1.
What are the key properties of (2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
(2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 450.85 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 25253284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).