N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide

C23H27FN2O2 — CID 134828729

IUPACN-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1CC1CC1
InChIInChI=1S/C23H27FN2O2/c1-15(28)25-12-21-23(22(14-27)26(21)13-16-5-6-16)18-9-7-17(8-10-18)19-3-2-4-20(24)11-19/h2-4,7-11,16,21-23,27H,5-6,12-14H2,1H3,(H,25,28)/t21-,22+,23+/m0/s1
InChIKeyGAGCXXQIQVYGFS-YTFSRNRJSA-N
MW382.48 g/mol
LogP3.17
Rot. Bonds7

About N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide

N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide (PubChem CID 134828729) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide
PubChem CID134828729
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1CC1CC1
InChIInChI=1S/C23H27FN2O2/c1-15(28)25-12-21-23(22(14-27)26(21)13-16-5-6-16)18-9-7-17(8-10-18)19-3-2-4-20(24)11-19/h2-4,7-11,16,21-23,27H,5-6,12-14H2,1H3,(H,25,28)/t21-,22+,23+/m0/s1
InChIKeyGAGCXXQIQVYGFS-YTFSRNRJSA-N
XLogP3.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]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 N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide (CID 134828729) is N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1CC1CC1.
What is the InChIKey of N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide?
The InChIKey is GAGCXXQIQVYGFS-YTFSRNRJSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-15(28)25-12-21-23(22(14-27)26(21)13-16-5-6-16)18-9-7-17(8-10-18)19-3-2-4-20(24)11-19/h2-4,7-11,16,21-23,27H,5-6,12-14H2,1H3,(H,25,28)/t21-,22+,23+/m0/s1.
What are the key properties of N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide?
N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide has a molecular weight of 382.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]acetamide is sourced from PubChem (CID 134828729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).