N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide

C17H18FNO4 — CID 26881977

IUPACN-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cc(C)ccc2F)cc1OC
InChIInChI=1S/C17H18FNO4/c1-10-5-6-12(18)13(7-10)19-17(20)11-8-15(22-3)16(23-4)9-14(11)21-2/h5-9H,1-4H3,(H,19,20)
InChIKeyZSBKKESTYSMWPD-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.41
Rot. Bonds5

About N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide

N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide (PubChem CID 26881977) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
PubChem CID26881977
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cc(C)ccc2F)cc1OC
InChIInChI=1S/C17H18FNO4/c1-10-5-6-12(18)13(7-10)19-17(20)11-8-15(22-3)16(23-4)9-14(11)21-2/h5-9H,1-4H3,(H,19,20)
InChIKeyZSBKKESTYSMWPD-UHFFFAOYSA-N
XLogP3.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide
CID 2596685
N-(2-fluoro-5-methylphenyl)-2,4-dimethoxybenzamide
CID 16546475
N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 2995158
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
N-(5-chloro-2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 837991
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide (CID 26881977) is N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2cc(C)ccc2F)cc1OC.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is ZSBKKESTYSMWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-10-5-6-12(18)13(7-10)19-17(20)11-8-15(22-3)16(23-4)9-14(11)21-2/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide?
N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide has a molecular weight of 319.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 26881977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).