N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide

C13H18FNO2 — CID 110780143

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(F)cc1CNC(=O)CC(C)C
InChIInChI=1S/C13H18FNO2/c1-9(2)6-13(16)15-8-10-7-11(14)4-5-12(10)17-3/h4-5,7,9H,6,8H2,1-3H3,(H,15,16)
InChIKeyQWLWCFWGAXQBOF-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.50
Rot. Bonds5

About N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide

N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide (PubChem CID 110780143) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
PubChem CID110780143
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(F)cc1CNC(=O)CC(C)C
InChIInChI=1S/C13H18FNO2/c1-9(2)6-13(16)15-8-10-7-11(14)4-5-12(10)17-3/h4-5,7,9H,6,8H2,1-3H3,(H,15,16)
InChIKeyQWLWCFWGAXQBOF-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-fluoro-2-methoxyphenyl)methylamino]-2-methyl-4-oxobutanoic acid
CID 115165071
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110784111
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483
4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide
CID 94278155
5-[(5-fluoro-2-methoxyphenyl)methylamino]-5-oxopentanoic acid
CID 94696058
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
CID 115157575
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide (CID 110780143) is N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide is COc1ccc(F)cc1CNC(=O)CC(C)C.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is QWLWCFWGAXQBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(2)6-13(16)15-8-10-7-11(14)4-5-12(10)17-3/h4-5,7,9H,6,8H2,1-3H3,(H,15,16).
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide?
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 239.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 110780143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).