[(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone

C20H21F2NO2 — CID 142223941

IUPAC[(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone
SMILESCCC[C@]1(c2ccc(F)cc2F)CN(C(=O)c2ccccc2)CCO1
InChIInChI=1S/C20H21F2NO2/c1-2-10-20(17-9-8-16(21)13-18(17)22)14-23(11-12-25-20)19(24)15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3/t20-/m1/s1
InChIKeyWAPSBSOICNNZSI-HXUWFJFHSA-N
MW345.39 g/mol
LogP4.13
Rot. Bonds4

About [(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone

[(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone (PubChem CID 142223941) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is [(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone
PubChem CID142223941
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name[(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone
SMILESCCC[C@]1(c2ccc(F)cc2F)CN(C(=O)c2ccccc2)CCO1
InChIInChI=1S/C20H21F2NO2/c1-2-10-20(17-9-8-16(21)13-18(17)22)14-23(11-12-25-20)19(24)15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3/t20-/m1/s1
InChIKeyWAPSBSOICNNZSI-HXUWFJFHSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone 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 [(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone (CID 142223941) is [(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone is CCC[C@]1(c2ccc(F)cc2F)CN(C(=O)c2ccccc2)CCO1.
What is the InChIKey of [(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone?
The InChIKey is WAPSBSOICNNZSI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-2-10-20(17-9-8-16(21)13-18(17)22)14-23(11-12-25-20)19(24)15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3/t20-/m1/s1.
What are the key properties of [(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone?
[(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone has a molecular weight of 345.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2,4-difluorophenyl)-2-propylmorpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 142223941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).