N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide

C18H20FNO3 — CID 110789797

IUPACN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
SMILESCOc1cc(C)c(CCNC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C18H20FNO3/c1-12-10-16(22-2)17(23-3)11-13(12)8-9-20-18(21)14-6-4-5-7-15(14)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyOOTNKPVTXJIRIU-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide

N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide (PubChem CID 110789797) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
PubChem CID110789797
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
SMILESCOc1cc(C)c(CCNC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C18H20FNO3/c1-12-10-16(22-2)17(23-3)11-13(12)8-9-20-18(21)14-6-4-5-7-15(14)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyOOTNKPVTXJIRIU-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789806
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
CID 54785477
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
CID 110326115
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide
CID 110790226
2-fluoro-N-[1-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74617762
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
1-amino-3-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
CID 115192926

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide (CID 110789797) is N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide is COc1cc(C)c(CCNC(=O)c2ccccc2F)cc1OC.
What is the InChIKey of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide?
The InChIKey is OOTNKPVTXJIRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12-10-16(22-2)17(23-3)11-13(12)8-9-20-18(21)14-6-4-5-7-15(14)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide?
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide has a molecular weight of 317.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 110789797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).