N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide

C13H18FNO2 — CID 110776589

IUPACN-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(F)cc1NC(=O)CC(C)(C)C
InChIInChI=1S/C13H18FNO2/c1-13(2,3)8-12(16)15-10-7-9(14)5-6-11(10)17-4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyXYBPSVWBKSKGHN-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.21
Rot. Bonds3

About N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide

N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide (PubChem CID 110776589) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
PubChem CID110776589
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(F)cc1NC(=O)CC(C)(C)C
InChIInChI=1S/C13H18FNO2/c1-13(2,3)8-12(16)15-10-7-9(14)5-6-11(10)17-4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyXYBPSVWBKSKGHN-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(5-fluoro-2-methoxyanilino)-4-oxobutanoate
CID 110776545
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
5-[5-fluoro-2-(2-methoxyethoxy)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119109702
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18285483
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122088492
2-(1,3-dioxoisoindol-2-yl)-N-(5-fluoro-2-methoxyphenyl)acetamide
CID 110776571
1-(5-fluoro-2-methoxyanilino)-2-methylpropan-2-ol
CID 115136729

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide (CID 110776589) is N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide is COc1ccc(F)cc1NC(=O)CC(C)(C)C.
What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide?
The InChIKey is XYBPSVWBKSKGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2,3)8-12(16)15-10-7-9(14)5-6-11(10)17-4/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide?
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide has a molecular weight of 239.29 g/mol, XLogP of 3.21, 3 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 110776589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).