(2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide

C24H23FN2O3 — CID 67010591

IUPAC(2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](OCc2ccccc2)CN1
InChIInChI=1S/C24H23FN2O3/c25-18-6-10-20(11-7-18)30-21-12-8-19(9-13-21)27-24(28)23-14-22(15-26-23)29-16-17-4-2-1-3-5-17/h1-13,22-23,26H,14-16H2,(H,27,28)/t22-,23+/m1/s1
InChIKeyTWVKLPOHDNVWMX-PKTZIBPZSA-N
MW406.46 g/mol
LogP4.50
Rot. Bonds7

About (2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide

(2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide (PubChem CID 67010591) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is (2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide
PubChem CID67010591
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name(2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](OCc2ccccc2)CN1
InChIInChI=1S/C24H23FN2O3/c25-18-6-10-20(11-7-18)30-21-12-8-19(9-13-21)27-24(28)23-14-22(15-26-23)29-16-17-4-2-1-3-5-17/h1-13,22-23,26H,14-16H2,(H,27,28)/t22-,23+/m1/s1
InChIKeyTWVKLPOHDNVWMX-PKTZIBPZSA-N
XLogP4.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide (CID 67010591) is (2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](OCc2ccccc2)CN1.
What is the InChIKey of (2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide?
The InChIKey is TWVKLPOHDNVWMX-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H23FN2O3/c25-18-6-10-20(11-7-18)30-21-12-8-19(9-13-21)27-24(28)23-14-22(15-26-23)29-16-17-4-2-1-3-5-17/h1-13,22-23,26H,14-16H2,(H,27,28)/t22-,23+/m1/s1.
What are the key properties of (2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide?
(2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[4-(4-fluorophenoxy)phenyl]-4-phenylmethoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 67010591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).