2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide

C30H34ClFN2O2 — CID 70273995

IUPAC2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide
SMILESCC(C)Oc1ccc(C[C@@H](CN2CC[C@@H](F)C2)NC(=O)Cc2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C30H34ClFN2O2/c1-21(2)36-29-13-5-22(6-14-29)17-28(20-34-16-15-27(32)19-34)33-30(35)18-23-3-7-24(8-4-23)25-9-11-26(31)12-10-25/h3-14,21,27-28H,15-20H2,1-2H3,(H,33,35)/t27-,28+/m1/s1
InChIKeyGBWVCYIENXEVLL-IZLXSDGUSA-N
MW509.07 g/mol
LogP6.11
Rot. Bonds10

About 2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide

2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide (PubChem CID 70273995) has the molecular formula C30H34ClFN2O2 and a molecular weight of 509.07 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide
PubChem CID70273995
Molecular FormulaC30H34ClFN2O2
Molecular Weight509.07 g/mol
Exact Mass508.23
IUPAC Name2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide
SMILESCC(C)Oc1ccc(C[C@@H](CN2CC[C@@H](F)C2)NC(=O)Cc2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C30H34ClFN2O2/c1-21(2)36-29-13-5-22(6-14-29)17-28(20-34-16-15-27(32)19-34)33-30(35)18-23-3-7-24(8-4-23)25-9-11-26(31)12-10-25/h3-14,21,27-28H,15-20H2,1-2H3,(H,33,35)/t27-,28+/m1/s1
InChIKeyGBWVCYIENXEVLL-IZLXSDGUSA-N
XLogP6.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.07
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide (CID 70273995) is 2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide is CC(C)Oc1ccc(C[C@@H](CN2CC[C@@H](F)C2)NC(=O)Cc2ccc(-c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide?
The InChIKey is GBWVCYIENXEVLL-IZLXSDGUSA-N. The full InChI is InChI=1S/C30H34ClFN2O2/c1-21(2)36-29-13-5-22(6-14-29)17-28(20-34-16-15-27(32)19-34)33-30(35)18-23-3-7-24(8-4-23)25-9-11-26(31)12-10-25/h3-14,21,27-28H,15-20H2,1-2H3,(H,33,35)/t27-,28+/m1/s1.
What are the key properties of 2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide?
2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide has a molecular weight of 509.07 g/mol, XLogP of 6.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)phenyl]-N-[(2S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 70273995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).