N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide

C14H16ClFN2O3 — CID 119044042

IUPACN-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCC1OCCN(C(=O)C(=O)Nc2ccc(F)cc2Cl)C1C
InChIInChI=1S/C14H16ClFN2O3/c1-8-9(2)21-6-5-18(8)14(20)13(19)17-12-4-3-10(16)7-11(12)15/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)
InChIKeySEDARXFDQBUCHH-UHFFFAOYSA-N
MW314.74 g/mol
LogP2.05
Rot. Bonds1

About N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide

N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide (PubChem CID 119044042) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide
PubChem CID119044042
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCC1OCCN(C(=O)C(=O)Nc2ccc(F)cc2Cl)C1C
InChIInChI=1S/C14H16ClFN2O3/c1-8-9(2)21-6-5-18(8)14(20)13(19)17-12-4-3-10(16)7-11(12)15/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)
InChIKeySEDARXFDQBUCHH-UHFFFAOYSA-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-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide
CID 75499419
N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
CID 124621960
N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
CID 124621986
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47336644
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
methyl N-(2-chloro-4-fluorophenyl)carbamate
CID 115579852
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681562
N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55228625
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 42911884
1-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784677
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide (CID 119044042) is N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide is CC1OCCN(C(=O)C(=O)Nc2ccc(F)cc2Cl)C1C.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide?
The InChIKey is SEDARXFDQBUCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c1-8-9(2)21-6-5-18(8)14(20)13(19)17-12-4-3-10(16)7-11(12)15/h3-4,7-9H,5-6H2,1-2H3,(H,17,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide?
N-(2-chloro-4-fluorophenyl)-2-(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-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 119044042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).