2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile

C14H16FN3O2 — CID 43580691

IUPAC2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
SMILESCC(Nc1cccc(F)c1C#N)C(=O)N1CCOCC1
InChIInChI=1S/C14H16FN3O2/c1-10(14(19)18-5-7-20-8-6-18)17-13-4-2-3-12(15)11(13)9-16/h2-4,10,17H,5-8H2,1H3
InChIKeyHZNKSRUGFGKALS-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.36
Rot. Bonds3

About 2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile

2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile (PubChem CID 43580691) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
PubChem CID43580691
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
SMILESCC(Nc1cccc(F)c1C#N)C(=O)N1CCOCC1
InChIInChI=1S/C14H16FN3O2/c1-10(14(19)18-5-7-20-8-6-18)17-13-4-2-3-12(15)11(13)9-16/h2-4,10,17H,5-8H2,1H3
InChIKeyHZNKSRUGFGKALS-UHFFFAOYSA-N
XLogP1.36
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide
CID 43580684
2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide
CID 43580689
2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide
CID 43580682
2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115588993
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
2-[(3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112551724
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one
CID 79768931
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
5-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyridine-2-carbonitrile
CID 97120466
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile (CID 43580691) is 2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile is CC(Nc1cccc(F)c1C#N)C(=O)N1CCOCC1.
What is the InChIKey of 2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile?
The InChIKey is HZNKSRUGFGKALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-10(14(19)18-5-7-20-8-6-18)17-13-4-2-3-12(15)11(13)9-16/h2-4,10,17H,5-8H2,1H3.
What are the key properties of 2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile?
2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile has a molecular weight of 277.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile is sourced from PubChem (CID 43580691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).