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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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).