3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide

C17H23FN2O3 — CID 139028774

IUPAC3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(N3CCOCC3)CCC2)cc1F
InChIInChI=1S/C17H23FN2O3/c1-22-15-4-3-13(11-14(15)18)16(21)19-12-17(5-2-6-17)20-7-9-23-10-8-20/h3-4,11H,2,5-10,12H2,1H3,(H,19,21)
InChIKeyVLJVZCVVEBBZAN-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.82
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide

3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide (PubChem CID 139028774) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
PubChem CID139028774
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(N3CCOCC3)CCC2)cc1F
InChIInChI=1S/C17H23FN2O3/c1-22-15-4-3-13(11-14(15)18)16(21)19-12-17(5-2-6-17)20-7-9-23-10-8-20/h3-4,11H,2,5-10,12H2,1H3,(H,19,21)
InChIKeyVLJVZCVVEBBZAN-UHFFFAOYSA-N
XLogP1.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 125420203
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026
4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 39752666
3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 71806743
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide (CID 139028774) is 3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide is COc1ccc(C(=O)NCC2(N3CCOCC3)CCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide?
The InChIKey is VLJVZCVVEBBZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-22-15-4-3-13(11-14(15)18)16(21)19-12-17(5-2-6-17)20-7-9-23-10-8-20/h3-4,11H,2,5-10,12H2,1H3,(H,19,21).
What are the key properties of 3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide?
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide has a molecular weight of 322.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 139028774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).