[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone

C14H19FN2O3 — CID 145213413

IUPAC[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCOCC2)c(F)cc1N(C)C
InChIInChI=1S/C14H19FN2O3/c1-16(2)12-9-11(15)10(8-13(12)19-3)14(18)17-4-6-20-7-5-17/h8-9H,4-7H2,1-3H3
InChIKeyJSQHWMBQCZWGEY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.37
Rot. Bonds3

About [4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone

[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone (PubChem CID 145213413) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is [4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
PubChem CID145213413
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCOCC2)c(F)cc1N(C)C
InChIInChI=1S/C14H19FN2O3/c1-16(2)12-9-11(15)10(8-13(12)19-3)14(18)17-4-6-20-7-5-17/h8-9H,4-7H2,1-3H3
InChIKeyJSQHWMBQCZWGEY-UHFFFAOYSA-N
XLogP1.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 162421226
[4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite
CID 146329829
benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
CID 160782561
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone
CID 16639867
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119517185
[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492080
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone (CID 145213413) is [4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone is COc1cc(C(=O)N2CCOCC2)c(F)cc1N(C)C.
What is the InChIKey of [4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is JSQHWMBQCZWGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-16(2)12-9-11(15)10(8-13(12)19-3)14(18)17-4-6-20-7-5-17/h8-9H,4-7H2,1-3H3.
What are the key properties of [4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone?
[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 282.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 145213413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).