4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide

C20H23FN2O5 — CID 18113370

IUPAC4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C20H23FN2O5/c1-23(12-14-7-10-16(26-2)19(28-4)18(14)27-3)17(24)11-22-20(25)13-5-8-15(21)9-6-13/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyITGBNOLHHDGDBX-UHFFFAOYSA-N
MW390.41 g/mol
LogP2.24
Rot. Bonds8

About 4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 18113370) has the molecular formula C20H23FN2O5 and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID18113370
Molecular FormulaC20H23FN2O5
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C20H23FN2O5/c1-23(12-14-7-10-16(26-2)19(28-4)18(14)27-3)17(24)11-22-20(25)13-5-8-15(21)9-6-13/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyITGBNOLHHDGDBX-UHFFFAOYSA-N
XLogP2.24
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 9166749
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 31215861
N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 134046635
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115
N-methyl-6-oxo-N-[(2,3,4-trimethoxyphenyl)methyl]-1H-pyridine-3-carboxamide
CID 18113298
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24544434
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746
4-fluoro-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18114254
2-ethoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113269
3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 41437401
3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 31239710

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide (CID 18113370) is 4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide is COc1ccc(CN(C)C(=O)CNC(=O)c2ccc(F)cc2)c(OC)c1OC.
What is the InChIKey of 4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is ITGBNOLHHDGDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5/c1-23(12-14-7-10-16(26-2)19(28-4)18(14)27-3)17(24)11-22-20(25)13-5-8-15(21)9-6-13/h5-10H,11-12H2,1-4H3,(H,22,25).
What are the key properties of 4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 390.41 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18113370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).