N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide

C16H22ClFN2O2 — CID 42961625

IUPACN-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide
SMILESCCC(=O)NCC(c1c(F)cccc1Cl)N1CCOC(C)C1
InChIInChI=1S/C16H22ClFN2O2/c1-3-15(21)19-9-14(20-7-8-22-11(2)10-20)16-12(17)5-4-6-13(16)18/h4-6,11,14H,3,7-10H2,1-2H3,(H,19,21)
InChIKeyJHORSQVDQLZIQJ-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide

N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide (PubChem CID 42961625) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide
PubChem CID42961625
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.82 g/mol
Exact Mass328.14
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide
SMILESCCC(=O)NCC(c1c(F)cccc1Cl)N1CCOC(C)C1
InChIInChI=1S/C16H22ClFN2O2/c1-3-15(21)19-9-14(20-7-8-22-11(2)10-20)16-12(17)5-4-6-13(16)18/h4-6,11,14H,3,7-10H2,1-2H3,(H,19,21)
InChIKeyJHORSQVDQLZIQJ-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide (CID 42961625) is N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide is CCC(=O)NCC(c1c(F)cccc1Cl)N1CCOC(C)C1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide?
The InChIKey is JHORSQVDQLZIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-3-15(21)19-9-14(20-7-8-22-11(2)10-20)16-12(17)5-4-6-13(16)18/h4-6,11,14H,3,7-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide?
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide has a molecular weight of 328.82 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]propanamide is sourced from PubChem (CID 42961625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).