(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide

C13H15Cl2FN2O2 — CID 99103788

IUPAC(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C13H15Cl2FN2O2/c1-7(13(17)19)18-2-3-20-12(6-18)8-4-11(16)10(15)5-9(8)14/h4-5,7,12H,2-3,6H2,1H3,(H2,17,19)/t7-,12-/m1/s1
InChIKeyADHJGXZTYGYBBY-JMCQJSRRSA-N
MW321.18 g/mol
LogP2.38
Rot. Bonds3

About (2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide

(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide (PubChem CID 99103788) has the molecular formula C13H15Cl2FN2O2 and a molecular weight of 321.18 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
PubChem CID99103788
Molecular FormulaC13H15Cl2FN2O2
Molecular Weight321.18 g/mol
Exact Mass320.05
IUPAC Name(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C13H15Cl2FN2O2/c1-7(13(17)19)18-2-3-20-12(6-18)8-4-11(16)10(15)5-9(8)14/h4-5,7,12H,2-3,6H2,1H3,(H2,17,19)/t7-,12-/m1/s1
InChIKeyADHJGXZTYGYBBY-JMCQJSRRSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide 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

3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119777421
(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
CID 94823361
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 119777407
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120989276
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
CID 125152344
2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
CID 51102088
(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
CID 155946524
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone
CID 120792454
4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol
CID 95339618
2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141261156
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119777428
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120931507

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide?
The IUPAC name of (2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide (CID 99103788) is (2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide.
What is the SMILES notation for (2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide?
The canonical SMILES for (2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide is C[C@H](C(N)=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1.
What is the InChIKey of (2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide?
The InChIKey is ADHJGXZTYGYBBY-JMCQJSRRSA-N. The full InChI is InChI=1S/C13H15Cl2FN2O2/c1-7(13(17)19)18-2-3-20-12(6-18)8-4-11(16)10(15)5-9(8)14/h4-5,7,12H,2-3,6H2,1H3,(H2,17,19)/t7-,12-/m1/s1.
What are the key properties of (2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide?
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide has a molecular weight of 321.18 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 99103788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).