5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide

C17H24FN3O3 — CID 167837572

IUPAC5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide
SMILESCC(C)C(CNC(=O)c1cc(F)cc(C(N)=O)c1)N1CCOCC1
InChIInChI=1S/C17H24FN3O3/c1-11(2)15(21-3-5-24-6-4-21)10-20-17(23)13-7-12(16(19)22)8-14(18)9-13/h7-9,11,15H,3-6,10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyDMOUHXORXLTHHW-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.01
Rot. Bonds6

About 5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide

5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide (PubChem CID 167837572) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide
PubChem CID167837572
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide
SMILESCC(C)C(CNC(=O)c1cc(F)cc(C(N)=O)c1)N1CCOCC1
InChIInChI=1S/C17H24FN3O3/c1-11(2)15(21-3-5-24-6-4-21)10-20-17(23)13-7-12(16(19)22)8-14(18)9-13/h7-9,11,15H,3-6,10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyDMOUHXORXLTHHW-UHFFFAOYSA-N
XLogP1.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
CID 32627981
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685
1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)cyclopropane-1-carboxamide
CID 134003398
4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide
CID 92626833
1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 42938134
2-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]carbamoylamino]propanediamide
CID 94187394
N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55788763
2-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-morpholin-4-ylbenzamide
CID 92626787
5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide
CID 95129634
N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18153813

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide (CID 167837572) is 5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide is CC(C)C(CNC(=O)c1cc(F)cc(C(N)=O)c1)N1CCOCC1.
What is the InChIKey of 5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide?
The InChIKey is DMOUHXORXLTHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-11(2)15(21-3-5-24-6-4-21)10-20-17(23)13-7-12(16(19)22)8-14(18)9-13/h7-9,11,15H,3-6,10H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide?
5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-(3-methyl-2-morpholin-4-ylbutyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 167837572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).