2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone

C14H19BrN2O2 — CID 103579710

IUPAC2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone
SMILESCc1cc(NCC(=O)N2CCOCC2)cc(C)c1Br
InChIInChI=1S/C14H19BrN2O2/c1-10-7-12(8-11(2)14(10)15)16-9-13(18)17-3-5-19-6-4-17/h7-8,16H,3-6,9H2,1-2H3
InChIKeyQXHIGUFJVJHTBD-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.34
Rot. Bonds3

About 2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone

2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone (PubChem CID 103579710) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone
PubChem CID103579710
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone
SMILESCc1cc(NCC(=O)N2CCOCC2)cc(C)c1Br
InChIInChI=1S/C14H19BrN2O2/c1-10-7-12(8-11(2)14(10)15)16-9-13(18)17-3-5-19-6-4-17/h7-8,16H,3-6,9H2,1-2H3
InChIKeyQXHIGUFJVJHTBD-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylanilino)ethanone
CID 107573726
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
CID 113242520
2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone
CID 133490707
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-morpholin-4-ylethanone
CID 108994230
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
2-[(1-methylpyrazol-4-yl)amino]-1-morpholin-4-ylethanone
CID 79778249
1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
CID 108996155
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
CID 28579517
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
CID 113352413
1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone
CID 107644421

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone (CID 103579710) is 2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone is Cc1cc(NCC(=O)N2CCOCC2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone?
The InChIKey is QXHIGUFJVJHTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-7-12(8-11(2)14(10)15)16-9-13(18)17-3-5-19-6-4-17/h7-8,16H,3-6,9H2,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone?
2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone has a molecular weight of 327.22 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 103579710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).