(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide

C15H20ClFN2O2 — CID 9249033

IUPAC(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2F)C[C@H](C)O1
InChIInChI=1S/C15H20ClFN2O2/c1-9-7-19(8-10(2)21-9)11(3)15(20)18-14-5-4-12(16)6-13(14)17/h4-6,9-11H,7-8H2,1-3H3,(H,18,20)/t9-,10+,11-/m0/s1
InChIKeyIECOKTZBPCJMAL-AXFHLTTASA-N
MW314.79 g/mol
LogP2.92
Rot. Bonds3

About (2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide

(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 9249033) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is (2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID9249033
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC Name(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2F)C[C@H](C)O1
InChIInChI=1S/C15H20ClFN2O2/c1-9-7-19(8-10(2)21-9)11(3)15(20)18-14-5-4-12(16)6-13(14)17/h4-6,9-11H,7-8H2,1-3H3,(H,18,20)/t9-,10+,11-/m0/s1
InChIKeyIECOKTZBPCJMAL-AXFHLTTASA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-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

(2S)-N-(2,4-difluorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249053
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778971
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430814
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
N-(2-amino-4-methoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779396
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of (2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide (CID 9249033) is (2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for (2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide is C[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2F)C[C@H](C)O1.
What is the InChIKey of (2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is IECOKTZBPCJMAL-AXFHLTTASA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c1-9-7-19(8-10(2)21-9)11(3)15(20)18-14-5-4-12(16)6-13(14)17/h4-6,9-11H,7-8H2,1-3H3,(H,18,20)/t9-,10+,11-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide has a molecular weight of 314.79 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 9249033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).