N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide

C18H20FNO2 — CID 90622908

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
SMILESCOC(CNC(=O)c1ccc(C)cc1C)c1cccc(F)c1
InChIInChI=1S/C18H20FNO2/c1-12-7-8-16(13(2)9-12)18(21)20-11-17(22-3)14-5-4-6-15(19)10-14/h4-10,17H,11H2,1-3H3,(H,20,21)
InChIKeyAQNAKFNHGHGWCS-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide (PubChem CID 90622908) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
PubChem CID90622908
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
SMILESCOC(CNC(=O)c1ccc(C)cc1C)c1cccc(F)c1
InChIInChI=1S/C18H20FNO2/c1-12-7-8-16(13(2)9-12)18(21)20-11-17(22-3)14-5-4-6-15(19)10-14/h4-10,17H,11H2,1-3H3,(H,20,21)
InChIKeyAQNAKFNHGHGWCS-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623158
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2,4-dimethylbenzamide
CID 90597947
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
CID 114308285
5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90622984
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide
CID 90622948

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide (CID 90622908) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide is COC(CNC(=O)c1ccc(C)cc1C)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide?
The InChIKey is AQNAKFNHGHGWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-12-7-8-16(13(2)9-12)18(21)20-11-17(22-3)14-5-4-6-15(19)10-14/h4-10,17H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide has a molecular weight of 301.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 90622908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).