2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone

C13H17FN2O2 — CID 113352413

IUPAC2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
SMILESCc1cccc(NCC(=O)N2CCOCC2)c1F
InChIInChI=1S/C13H17FN2O2/c1-10-3-2-4-11(13(10)14)15-9-12(17)16-5-7-18-8-6-16/h2-4,15H,5-9H2,1H3
InChIKeyKQFOUDVIVKANPI-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.40
Rot. Bonds3

About 2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone

2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone (PubChem CID 113352413) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
PubChem CID113352413
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
SMILESCc1cccc(NCC(=O)N2CCOCC2)c1F
InChIInChI=1S/C13H17FN2O2/c1-10-3-2-4-11(13(10)14)15-9-12(17)16-5-7-18-8-6-16/h2-4,15H,5-9H2,1H3
InChIKeyKQFOUDVIVKANPI-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
CID 28574443
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432
methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 37471919
2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
CID 43217744
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone
CID 104530689
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-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81374136
1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone
CID 54828242
2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone
CID 103579710

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone (CID 113352413) is 2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone is Cc1cccc(NCC(=O)N2CCOCC2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone?
The InChIKey is KQFOUDVIVKANPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-10-3-2-4-11(13(10)14)15-9-12(17)16-5-7-18-8-6-16/h2-4,15H,5-9H2,1H3.
What are the key properties of 2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone?
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone has a molecular weight of 252.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 113352413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).