2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone

C12H14BrFN2O2 — CID 113242520

IUPAC2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
SMILESO=C(CNc1ccc(F)c(Br)c1)N1CCOCC1
InChIInChI=1S/C12H14BrFN2O2/c13-10-7-9(1-2-11(10)14)15-8-12(17)16-3-5-18-6-4-16/h1-2,7,15H,3-6,8H2
InChIKeyIQJDCSAOLWTHEJ-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.86
Rot. Bonds3

About 2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone

2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone (PubChem CID 113242520) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
PubChem CID113242520
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
SMILESO=C(CNc1ccc(F)c(Br)c1)N1CCOCC1
InChIInChI=1S/C12H14BrFN2O2/c13-10-7-9(1-2-11(10)14)15-8-12(17)16-3-5-18-6-4-16/h1-2,7,15H,3-6,8H2
InChIKeyIQJDCSAOLWTHEJ-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
CID 28574443
1-morpholin-4-yl-2-(2,3,5,6-tetrafluoroanilino)ethanone
CID 107644421
2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone
CID 103579710
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
1-(4-acetylpiperazin-1-yl)-2-(3,4-difluoroanilino)ethanone
CID 108996222
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone
CID 60706036
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone
CID 133490707
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone (CID 113242520) is 2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone is O=C(CNc1ccc(F)c(Br)c1)N1CCOCC1.
What is the InChIKey of 2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone?
The InChIKey is IQJDCSAOLWTHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-10-7-9(1-2-11(10)14)15-8-12(17)16-3-5-18-6-4-16/h1-2,7,15H,3-6,8H2.
What are the key properties of 2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone?
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone has a molecular weight of 317.16 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 113242520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).