N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide

C13H16ClFN2O2 — CID 75499419

IUPACN-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide
SMILESCC1OCCN(C(=O)Nc2cc(F)ccc2Cl)C1C
InChIInChI=1S/C13H16ClFN2O2/c1-8-9(2)19-6-5-17(8)13(18)16-12-7-10(15)3-4-11(12)14/h3-4,7-9H,5-6H2,1-2H3,(H,16,18)
InChIKeyKOVAEMYUPKGQLA-UHFFFAOYSA-N
MW286.73 g/mol
LogP3.12
Rot. Bonds1

About N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide

N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide (PubChem CID 75499419) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide
PubChem CID75499419
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC NameN-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide
SMILESCC1OCCN(C(=O)Nc2cc(F)ccc2Cl)C1C
InChIInChI=1S/C13H16ClFN2O2/c1-8-9(2)19-6-5-17(8)13(18)16-12-7-10(15)3-4-11(12)14/h3-4,7-9H,5-6H2,1-2H3,(H,16,18)
InChIKeyKOVAEMYUPKGQLA-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(2,3-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 119044042
N-(3-chloro-5-fluorophenyl)-2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
CID 124621986
(2S,3R)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2,3-dimethylmorpholine-4-carboxamide
CID 97332424
N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
CID 124621960
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
(2S,3S)-2,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide
CID 97253592
N-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dimethylmorpholine-4-carboxamide
CID 84597782
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 107530206
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107530107
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79766101
1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103552439

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide (CID 75499419) is N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide is CC1OCCN(C(=O)Nc2cc(F)ccc2Cl)C1C.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide?
The InChIKey is KOVAEMYUPKGQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-8-9(2)19-6-5-17(8)13(18)16-12-7-10(15)3-4-11(12)14/h3-4,7-9H,5-6H2,1-2H3,(H,16,18).
What are the key properties of N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide?
N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide has a molecular weight of 286.73 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2,3-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 75499419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).