[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride

C16H21ClF2N2O3 — CID 120930572

IUPAC[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCOC(c2ccc(F)c(F)c2)C1.Cl
InChIInChI=1S/C16H20F2N2O3.ClH/c1-10-15(19-4-6-22-10)16(21)20-5-7-23-14(9-20)11-2-3-12(17)13(18)8-11;/h2-3,8,10,14-15,19H,4-7,9H2,1H3;1H/t10-,14?,15+;/m1./s1
InChIKeyZNUZCDKDJSDWHX-SPJLKLKDSA-N
MW362.80 g/mol
LogP1.66
Rot. Bonds2

About [2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride

[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride (PubChem CID 120930572) has the molecular formula C16H21ClF2N2O3 and a molecular weight of 362.80 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
PubChem CID120930572
Molecular FormulaC16H21ClF2N2O3
Molecular Weight362.80 g/mol
Exact Mass362.12
IUPAC Name[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCOC(c2ccc(F)c(F)c2)C1.Cl
InChIInChI=1S/C16H20F2N2O3.ClH/c1-10-15(19-4-6-22-10)16(21)20-5-7-23-14(9-20)11-2-3-12(17)13(18)8-11;/h2-3,8,10,14-15,19H,4-7,9H2,1H3;1H/t10-,14?,15+;/m1./s1
InChIKeyZNUZCDKDJSDWHX-SPJLKLKDSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.80
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride
CID 120935931
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120931507
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263
3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668195
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120930576
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone
CID 119769794
[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124605948
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119769231
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120934242

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The IUPAC name of [2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride (CID 120930572) is [2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The canonical SMILES for [2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCOC(c2ccc(F)c(F)c2)C1.Cl.
What is the InChIKey of [2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
The InChIKey is ZNUZCDKDJSDWHX-SPJLKLKDSA-N. The full InChI is InChI=1S/C16H20F2N2O3.ClH/c1-10-15(19-4-6-22-10)16(21)20-5-7-23-14(9-20)11-2-3-12(17)13(18)8-11;/h2-3,8,10,14-15,19H,4-7,9H2,1H3;1H/t10-,14?,15+;/m1./s1.
What are the key properties of [2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride?
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride has a molecular weight of 362.80 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 120930572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).