2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone

C12H14ClFN2O2 — CID 104530689

IUPAC2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone
SMILESO=C(CNc1c(F)cccc1Cl)N1CCOCC1
InChIInChI=1S/C12H14ClFN2O2/c13-9-2-1-3-10(14)12(9)15-8-11(17)16-4-6-18-7-5-16/h1-3,15H,4-8H2
InChIKeyPKNTYCKOCNRYMY-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.75
Rot. Bonds3

About 2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone

2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone (PubChem CID 104530689) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone
PubChem CID104530689
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone
SMILESO=C(CNc1c(F)cccc1Cl)N1CCOCC1
InChIInChI=1S/C12H14ClFN2O2/c13-9-2-1-3-10(14)12(9)15-8-11(17)16-4-6-18-7-5-16/h1-3,15H,4-8H2
InChIKeyPKNTYCKOCNRYMY-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone
CID 107644421
2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone
CID 115909087
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
CID 28574443
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
CID 113352413
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
2-(2-chloro-6-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 78785496
3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 3638311
2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 113423474
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81379809
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
CID 113242520
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone (CID 104530689) is 2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone is O=C(CNc1c(F)cccc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone?
The InChIKey is PKNTYCKOCNRYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c13-9-2-1-3-10(14)12(9)15-8-11(17)16-4-6-18-7-5-16/h1-3,15H,4-8H2.
What are the key properties of 2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone?
2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone has a molecular weight of 272.71 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 104530689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).