(2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C16H18F4N2O — CID 154606382

IUPAC(2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1[C@@H](c1ccc(C(F)(F)F)cc1F)C1CC1
InChIInChI=1S/C16H18F4N2O/c17-12-8-10(16(18,19)20)5-6-11(12)14(9-3-4-9)22-7-1-2-13(22)15(21)23/h5-6,8-9,13-14H,1-4,7H2,(H2,21,23)/t13-,14-/m1/s1
InChIKeyXBRLPJITYBXUCT-ZIAGYGMSSA-N
MW330.33 g/mol
LogP3.25
Rot. Bonds4

About (2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 154606382) has the molecular formula C16H18F4N2O and a molecular weight of 330.33 g/mol. Its IUPAC name is (2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID154606382
Molecular FormulaC16H18F4N2O
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Name(2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1[C@@H](c1ccc(C(F)(F)F)cc1F)C1CC1
InChIInChI=1S/C16H18F4N2O/c17-12-8-10(16(18,19)20)5-6-11(12)14(9-3-4-9)22-7-1-2-13(22)15(21)23/h5-6,8-9,13-14H,1-4,7H2,(H2,21,23)/t13-,14-/m1/s1
InChIKeyXBRLPJITYBXUCT-ZIAGYGMSSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 154606382) is (2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1[C@@H](c1ccc(C(F)(F)F)cc1F)C1CC1.
What is the InChIKey of (2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is XBRLPJITYBXUCT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H18F4N2O/c17-12-8-10(16(18,19)20)5-6-11(12)14(9-3-4-9)22-7-1-2-13(22)15(21)23/h5-6,8-9,13-14H,1-4,7H2,(H2,21,23)/t13-,14-/m1/s1.
What are the key properties of (2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154606382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).