(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide

C20H19ClF3N3O2 — CID 25233758

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19ClF3N3O2/c1-26(12-13-2-6-15(21)7-3-13)18(28)17-10-11-27(17)19(29)25-16-8-4-14(5-9-16)20(22,23)24/h2-9,17H,10-12H2,1H3,(H,25,29)/t17-/m1/s1
InChIKeyIVZVJHKTPLQQLA-QGZVFWFLSA-N
MW425.84 g/mol
LogP4.62
Rot. Bonds4

About (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide

(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide (PubChem CID 25233758) has the molecular formula C20H19ClF3N3O2 and a molecular weight of 425.84 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide
PubChem CID25233758
Molecular FormulaC20H19ClF3N3O2
Molecular Weight425.84 g/mol
Exact Mass425.11
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19ClF3N3O2/c1-26(12-13-2-6-15(21)7-3-13)18(28)17-10-11-27(17)19(29)25-16-8-4-14(5-9-16)20(22,23)24/h2-9,17H,10-12H2,1H3,(H,25,29)/t17-/m1/s1
InChIKeyIVZVJHKTPLQQLA-QGZVFWFLSA-N
XLogP4.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 71134588
(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615079
1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 71131532
(2R)-1-N-(6-chloro-2-methyl-3-pyridinyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 89303525
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide
CID 71131547
(2R)-2-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 25253284
1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 150068062
2-N-[(4-chlorophenyl)methyl]-1-N-(8-fluoro-3,4-dihydro-1H-isochromen-4-yl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615170
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(3-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 143615289
N-[(4-chlorophenyl)methyl]-N-methylacetamide;2-methyl-N-[2-(methylsulfanylmethyl)-4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 143615291
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide
CID 143615138

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide (CID 25233758) is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide is CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCN1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide?
The InChIKey is IVZVJHKTPLQQLA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19ClF3N3O2/c1-26(12-13-2-6-15(21)7-3-13)18(28)17-10-11-27(17)19(29)25-16-8-4-14(5-9-16)20(22,23)24/h2-9,17H,10-12H2,1H3,(H,25,29)/t17-/m1/s1.
What are the key properties of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide?
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide has a molecular weight of 425.84 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide is sourced from PubChem (CID 25233758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).