2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one

C13H16FIN2O2 — CID 79768931

IUPAC2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1ccc(F)cc1I)C(=O)N1CCOCC1
InChIInChI=1S/C13H16FIN2O2/c1-9(13(18)17-4-6-19-7-5-17)16-12-3-2-10(14)8-11(12)15/h2-3,8-9,16H,4-7H2,1H3
InChIKeyAKDDFDLMRPFFFG-UHFFFAOYSA-N
MW378.19 g/mol
LogP2.09
Rot. Bonds3

About 2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one

2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one (PubChem CID 79768931) has the molecular formula C13H16FIN2O2 and a molecular weight of 378.19 g/mol. Its IUPAC name is 2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one
PubChem CID79768931
Molecular FormulaC13H16FIN2O2
Molecular Weight378.19 g/mol
Exact Mass378.02
IUPAC Name2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1ccc(F)cc1I)C(=O)N1CCOCC1
InChIInChI=1S/C13H16FIN2O2/c1-9(13(18)17-4-6-19-7-5-17)16-12-3-2-10(14)8-11(12)15/h2-3,8-9,16H,4-7H2,1H3
InChIKeyAKDDFDLMRPFFFG-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one
CID 79768419
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide
CID 79766971
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
2-(2-bromo-4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43119481
2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43347734
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
CID 43580691
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 103579849

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one (CID 79768931) is 2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one is CC(Nc1ccc(F)cc1I)C(=O)N1CCOCC1.
What is the InChIKey of 2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is AKDDFDLMRPFFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FIN2O2/c1-9(13(18)17-4-6-19-7-5-17)16-12-3-2-10(14)8-11(12)15/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one?
2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 378.19 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 79768931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).