4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide

C14H17FN2O4 — CID 127247682

IUPAC4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide
SMILESCOc1ccc(F)cc1C(=O)N1CCOC(C)(C(N)=O)C1
InChIInChI=1S/C14H17FN2O4/c1-14(13(16)19)8-17(5-6-21-14)12(18)10-7-9(15)3-4-11(10)20-2/h3-4,7H,5-6,8H2,1-2H3,(H2,16,19)
InChIKeyGMGMXNJITAPWPT-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.55
Rot. Bonds3

About 4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide

4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide (PubChem CID 127247682) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide
PubChem CID127247682
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide
SMILESCOc1ccc(F)cc1C(=O)N1CCOC(C)(C(N)=O)C1
InChIInChI=1S/C14H17FN2O4/c1-14(13(16)19)8-17(5-6-21-14)12(18)10-7-9(15)3-4-11(10)20-2/h3-4,7H,5-6,8H2,1-2H3,(H2,16,19)
InChIKeyGMGMXNJITAPWPT-UHFFFAOYSA-N
XLogP0.55
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(2-methoxypyridine-3-carbonyl)-2-methylmorpholine-2-carboxamide
CID 125015588
[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492080
(2R)-4-[2-(3-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide
CID 124977112
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
(2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide
CID 95838195
(5-fluoro-2-methoxyphenyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124978825
(2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
CID 125021701
(2R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-2-methylmorpholine-2-carboxamide
CID 124997751
2-[2-[(4-fluorophenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetamide
CID 132780206
(2,5-dimethylphenyl)-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814877
[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110802471
(5-fluoro-2-methoxyphenyl)-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 90648087

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide (CID 127247682) is 4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide is COc1ccc(F)cc1C(=O)N1CCOC(C)(C(N)=O)C1.
What is the InChIKey of 4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide?
The InChIKey is GMGMXNJITAPWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-14(13(16)19)8-17(5-6-21-14)12(18)10-7-9(15)3-4-11(10)20-2/h3-4,7H,5-6,8H2,1-2H3,(H2,16,19).
What are the key properties of 4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide?
4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxybenzoyl)-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 127247682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).