N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide

C22H25FN2O3 — CID 54652109

IUPACN-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide
SMILESCCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1cccc(F)c1
InChIInChI=1S/C22H25FN2O3/c1-3-24(22(28)17-10-7-11-18(23)12-17)13-19-21(16-8-5-4-6-9-16)20(14-26)25(19)15(2)27/h4-12,19-21,26H,3,13-14H2,1-2H3/t19-,20+,21-/m0/s1
InChIKeySUQATUZGUAXXSW-HBMCJLEFSA-N
MW384.45 g/mol
LogP2.66
Rot. Bonds6

About N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide

N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide (PubChem CID 54652109) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide
PubChem CID54652109
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide
SMILESCCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1cccc(F)c1
InChIInChI=1S/C22H25FN2O3/c1-3-24(22(28)17-10-7-11-18(23)12-17)13-19-21(16-8-5-4-6-9-16)20(14-26)25(19)15(2)27/h4-12,19-21,26H,3,13-14H2,1-2H3/t19-,20+,21-/m0/s1
InChIKeySUQATUZGUAXXSW-HBMCJLEFSA-N
XLogP2.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide 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 N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide?
The IUPAC name of N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide (CID 54652109) is N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide.
What is the SMILES notation for N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide?
The canonical SMILES for N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide is CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide?
The InChIKey is SUQATUZGUAXXSW-HBMCJLEFSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-3-24(22(28)17-10-7-11-18(23)12-17)13-19-21(16-8-5-4-6-9-16)20(14-26)25(19)15(2)27/h4-12,19-21,26H,3,13-14H2,1-2H3/t19-,20+,21-/m0/s1.
What are the key properties of N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide?
N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide has a molecular weight of 384.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-ethyl-3-fluorobenzamide is sourced from PubChem (CID 54652109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).