2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone

C13H16F2N2O3 — CID 43217744

IUPAC2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
SMILESO=C(CNc1ccccc1OC(F)F)N1CCOCC1
InChIInChI=1S/C13H16F2N2O3/c14-13(15)20-11-4-2-1-3-10(11)16-9-12(18)17-5-7-19-8-6-17/h1-4,13,16H,5-9H2
InChIKeyOJFQNMTWTAWLJK-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.56
Rot. Bonds5

About 2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone

2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone (PubChem CID 43217744) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
PubChem CID43217744
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
SMILESO=C(CNc1ccccc1OC(F)F)N1CCOCC1
InChIInChI=1S/C13H16F2N2O3/c14-13(15)20-11-4-2-1-3-10(11)16-9-12(18)17-5-7-19-8-6-17/h1-4,13,16H,5-9H2
InChIKeyOJFQNMTWTAWLJK-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745
1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone
CID 54828242
methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 37471919
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
CID 113352413
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
CID 28574443
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone
CID 109002262
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
CID 95276927
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone (CID 43217744) is 2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone is O=C(CNc1ccccc1OC(F)F)N1CCOCC1.
What is the InChIKey of 2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone?
The InChIKey is OJFQNMTWTAWLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c14-13(15)20-11-4-2-1-3-10(11)16-9-12(18)17-5-7-19-8-6-17/h1-4,13,16H,5-9H2.
What are the key properties of 2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone?
2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone has a molecular weight of 286.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 43217744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).