N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide

C18H20FNO4 — CID 22107778

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H20FNO4/c1-11(14-10-13(22-2)6-8-16(14)23-3)20-18(21)12-5-7-17(24-4)15(19)9-12/h5-11H,1-4H3,(H,20,21)
InChIKeyJEIHMDSJAJDEJG-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.34
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide (PubChem CID 22107778) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
PubChem CID22107778
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H20FNO4/c1-11(14-10-13(22-2)6-8-16(14)23-3)20-18(21)12-5-7-17(24-4)15(19)9-12/h5-11H,1-4H3,(H,20,21)
InChIKeyJEIHMDSJAJDEJG-UHFFFAOYSA-N
XLogP3.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-3-nitrobenzamide
CID 9478299
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25237075
4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 9194269
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide (CID 22107778) is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide is COc1ccc(OC)c(C(C)NC(=O)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is JEIHMDSJAJDEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-11(14-10-13(22-2)6-8-16(14)23-3)20-18(21)12-5-7-17(24-4)15(19)9-12/h5-11H,1-4H3,(H,20,21).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 333.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 22107778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).