N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide

C14H16ClFN2O3 — CID 124621986

IUPACN-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
SMILESC[C@H]1OCCN(C(=O)C(=O)Nc2cc(F)cc(Cl)c2)[C@H]1C
InChIInChI=1S/C14H16ClFN2O3/c1-8-9(2)21-4-3-18(8)14(20)13(19)17-12-6-10(15)5-11(16)7-12/h5-9H,3-4H2,1-2H3,(H,17,19)/t8-,9+/m0/s1
InChIKeyXMYRKWWSBOWYAK-DTWKUNHWSA-N
MW314.74 g/mol
LogP2.05
Rot. Bonds1

About N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide

N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide (PubChem CID 124621986) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
PubChem CID124621986
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
SMILESC[C@H]1OCCN(C(=O)C(=O)Nc2cc(F)cc(Cl)c2)[C@H]1C
InChIInChI=1S/C14H16ClFN2O3/c1-8-9(2)21-4-3-18(8)14(20)13(19)17-12-6-10(15)5-11(16)7-12/h5-9H,3-4H2,1-2H3,(H,17,19)/t8-,9+/m0/s1
InChIKeyXMYRKWWSBOWYAK-DTWKUNHWSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
CID 124621960
N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 119044042
N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide
CID 75499419
(2S,3R)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2,3-dimethylmorpholine-4-carboxamide
CID 97332424
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336395
(2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone
CID 110727735
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
(2R)-N-(3-chloro-5-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97057326
(2R,3R)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide
CID 97253593
(2S,3S)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide
CID 97253592
N-[4-(2,3-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 110744443

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide (CID 124621986) is N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide is C[C@H]1OCCN(C(=O)C(=O)Nc2cc(F)cc(Cl)c2)[C@H]1C.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide?
The InChIKey is XMYRKWWSBOWYAK-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c1-8-9(2)21-4-3-18(8)14(20)13(19)17-12-6-10(15)5-11(16)7-12/h5-9H,3-4H2,1-2H3,(H,17,19)/t8-,9+/m0/s1.
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide?
N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide has a molecular weight of 314.74 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide is sourced from PubChem (CID 124621986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).