(2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

C16H20F3N3O2 — CID 1443259

IUPAC(2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-10(2)20-14(23)13-8-5-9-22(13)15(24)21-12-7-4-3-6-11(12)16(17,18)19/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyCPALTQZDOADTNW-CYBMUJFWSA-N
MW343.35 g/mol
LogP3.23
Rot. Bonds3

About (2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

(2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 1443259) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is (2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID1443259
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name(2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-10(2)20-14(23)13-8-5-9-22(13)15(24)21-12-7-4-3-6-11(12)16(17,18)19/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyCPALTQZDOADTNW-CYBMUJFWSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 110754577
(2R)-2-(4-methylpiperazine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 95784316
2-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 42758075
(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 94080902
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230177
(2R)-1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 1442922
1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3230204
2-(5-methylthiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 22586911
(2S)-2-N-[(2R)-butan-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1432975
(2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 166292613
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 1443259) is (2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is CC(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is CPALTQZDOADTNW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-10(2)20-14(23)13-8-5-9-22(13)15(24)21-12-7-4-3-6-11(12)16(17,18)19/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1.
What are the key properties of (2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 343.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1443259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).