3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C15H16FNO3 — CID 86906483

IUPAC3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1F
InChIInChI=1S/C15H16FNO3/c1-10-4-6-12(20-10)9-17(2)15(18)11-5-7-14(19-3)13(16)8-11/h4-8H,9H2,1-3H3
InChIKeyOFQGNKSNIXPTQM-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.01
Rot. Bonds4

About 3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 86906483) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID86906483
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1F
InChIInChI=1S/C15H16FNO3/c1-10-4-6-12(20-10)9-17(2)15(18)11-5-7-14(19-3)13(16)8-11/h4-8H,9H2,1-3H3
InChIKeyOFQGNKSNIXPTQM-UHFFFAOYSA-N
XLogP3.01
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450
1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one
CID 53415620
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 27774718
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 24792003
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 27780589
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 24793078
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]naphthalene-1-carboxamide
CID 24517555
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 17447067
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
5-[[(4-fluoro-3-methoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522880

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 86906483) is 3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is COc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is OFQGNKSNIXPTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-10-4-6-12(20-10)9-17(2)15(18)11-5-7-14(19-3)13(16)8-11/h4-8H,9H2,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 277.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 86906483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).