(3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C21H21F3N2O — CID 46215442

IUPAC(3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)16-8-6-14(7-9-16)17-12-25-13-18(17)19(27)26-20(10-11-20)15-4-2-1-3-5-15/h1-9,17-18,25H,10-13H2,(H,26,27)/t17-,18+/m0/s1
InChIKeyCZSNZDHROWKQMS-ZWKOTPCHSA-N
MW374.41 g/mol
LogP3.81
Rot. Bonds4

About (3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46215442) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is (3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID46215442
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name(3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)16-8-6-14(7-9-16)17-12-25-13-18(17)19(27)26-20(10-11-20)15-4-2-1-3-5-15/h1-9,17-18,25H,10-13H2,(H,26,27)/t17-,18+/m0/s1
InChIKeyCZSNZDHROWKQMS-ZWKOTPCHSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 46215442) is (3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(NC1(c2ccccc2)CC1)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is CZSNZDHROWKQMS-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H21F3N2O/c22-21(23,24)16-8-6-14(7-9-16)17-12-25-13-18(17)19(27)26-20(10-11-20)15-4-2-1-3-5-15/h1-9,17-18,25H,10-13H2,(H,26,27)/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46215442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).