N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide

C13H18FNO2 — CID 90622872

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
SMILESCOC(CNC(=O)C(C)C)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-9(2)13(16)15-8-12(17-3)10-5-4-6-11(14)7-10/h4-7,9,12H,8H2,1-3H3,(H,15,16)
InChIKeySAHWZYKEJIBNQD-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide (PubChem CID 90622872) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
PubChem CID90622872
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
SMILESCOC(CNC(=O)C(C)C)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-9(2)13(16)15-8-12(17-3)10-5-4-6-11(14)7-10/h4-7,9,12H,8H2,1-3H3,(H,15,16)
InChIKeySAHWZYKEJIBNQD-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90622980
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 73168483
N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623158
N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide
CID 90622955
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
2-(4-ethoxyphenoxy)-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide
CID 90622981

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide (CID 90622872) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide is COC(CNC(=O)C(C)C)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide?
The InChIKey is SAHWZYKEJIBNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(2)13(16)15-8-12(17-3)10-5-4-6-11(14)7-10/h4-7,9,12H,8H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide has a molecular weight of 239.29 g/mol, XLogP of 2.29, 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-methylpropanamide is sourced from PubChem (CID 90622872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).