N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide

C18H20FNO4 — CID 4780408

IUPACN-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H20FNO4/c1-20(11-12-7-5-6-8-14(12)19)18(21)13-9-15(22-2)17(24-4)16(10-13)23-3/h5-10H,11H2,1-4H3
InChIKeyNZOZAYKKNZLNSR-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.12
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide

N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 4780408) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID4780408
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H20FNO4/c1-20(11-12-7-5-6-8-14(12)19)18(21)13-9-15(22-2)17(24-4)16(10-13)23-3/h5-10H,11H2,1-4H3
InChIKeyNZOZAYKKNZLNSR-UHFFFAOYSA-N
XLogP3.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 4832181
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55549890
N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 18117054
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 60628184
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
N-[(5-bromo-2-fluorophenyl)methyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide
CID 55580184
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide (CID 4780408) is N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2ccccc2F)cc(OC)c1OC.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is NZOZAYKKNZLNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-20(11-12-7-5-6-8-14(12)19)18(21)13-9-15(22-2)17(24-4)16(10-13)23-3/h5-10H,11H2,1-4H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide?
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 333.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 4780408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).