N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide

C18H19F2NO4 — CID 51150413

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(F)cc2F)c(OC)c1OC
InChIInChI=1S/C18H19F2NO4/c1-10(12-6-5-11(19)9-14(12)20)21-18(22)13-7-8-15(23-2)17(25-4)16(13)24-3/h5-10H,1-4H3,(H,21,22)
InChIKeyKMHSLSKQWJVMAS-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.48
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide

N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide (PubChem CID 51150413) has the molecular formula C18H19F2NO4 and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
PubChem CID51150413
Molecular FormulaC18H19F2NO4
Molecular Weight351.35 g/mol
Exact Mass351.13
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(F)cc2F)c(OC)c1OC
InChIInChI=1S/C18H19F2NO4/c1-10(12-6-5-11(19)9-14(12)20)21-18(22)13-7-8-15(23-2)17(25-4)16(13)24-3/h5-10H,1-4H3,(H,21,22)
InChIKeyKMHSLSKQWJVMAS-UHFFFAOYSA-N
XLogP3.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8610685
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 47032164
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 112836868
N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51150363
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide (CID 51150413) is N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NC(C)c2ccc(F)cc2F)c(OC)c1OC.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide?
The InChIKey is KMHSLSKQWJVMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4/c1-10(12-6-5-11(19)9-14(12)20)21-18(22)13-7-8-15(23-2)17(25-4)16(13)24-3/h5-10H,1-4H3,(H,21,22).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide?
N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide has a molecular weight of 351.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 51150413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).