N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide

C19H22FNO4 — CID 110787367

IUPACN-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccc(F)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-12-9-13(5-6-15(12)20)7-8-21-19(22)14-10-16(23-2)18(25-4)17(11-14)24-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,22)
InChIKeyOZGGGSPZCGKWCM-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide

N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 110787367) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID110787367
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccc(F)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-12-9-13(5-6-15(12)20)7-8-21-19(22)14-10-16(23-2)18(25-4)17(11-14)24-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,22)
InChIKeyOZGGGSPZCGKWCM-UHFFFAOYSA-N
XLogP3.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787364
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27646735
4-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154181600
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787525
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide
CID 18138817
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
3,4,5-trimethoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101112
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140036

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide (CID 110787367) is N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCc2ccc(F)c(C)c2)cc(OC)c1OC.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is OZGGGSPZCGKWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-12-9-13(5-6-15(12)20)7-8-21-19(22)14-10-16(23-2)18(25-4)17(11-14)24-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 347.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 110787367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).