N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide

C19H22FNO4 — CID 51267088

IUPACN-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)C(C)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-12(13-6-8-15(20)9-7-13)21(2)19(22)14-10-16(23-3)18(25-5)17(11-14)24-4/h6-12H,1-5H3
InChIKeyVLYDTFAMABISHK-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.68
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide

N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 51267088) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID51267088
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)C(C)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-12(13-6-8-15(20)9-7-13)21(2)19(22)14-10-16(23-3)18(25-5)17(11-14)24-4/h6-12H,1-5H3
InChIKeyVLYDTFAMABISHK-UHFFFAOYSA-N
XLogP3.68
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-4-methoxy-N-methylbenzamide
CID 46419830
N-[1-(4-fluorophenyl)ethyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 51267108
N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17413559
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
N-[2-(4-fluorophenyl)-4-methylsulfonylbutyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 15870529
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46580574
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide
CID 31827609
2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid
CID 119179923
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 66462106
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide (CID 51267088) is N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)C(C)c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is VLYDTFAMABISHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-12(13-6-8-15(20)9-7-13)21(2)19(22)14-10-16(23-3)18(25-5)17(11-14)24-4/h6-12H,1-5H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide?
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 347.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 51267088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).