2-fluoro-2-methyl-N-phenylbutanamide

C11H14FNO — CID 132540278

IUPAC2-fluoro-2-methyl-N-phenylbutanamide
SMILESCCC(C)(F)C(=O)Nc1ccccc1
InChIInChI=1S/C11H14FNO/c1-3-11(2,12)10(14)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyNBXCEGFYBRFQNU-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.76
Rot. Bonds3

About 2-fluoro-2-methyl-N-phenylbutanamide

2-fluoro-2-methyl-N-phenylbutanamide (PubChem CID 132540278) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-phenylbutanamide
PubChem CID132540278
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-fluoro-2-methyl-N-phenylbutanamide
SMILESCCC(C)(F)C(=O)Nc1ccccc1
InChIInChI=1S/C11H14FNO/c1-3-11(2,12)10(14)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyNBXCEGFYBRFQNU-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-methyl-2-(phenylcarbamoyl)butanoate
CID 142008434
3,3-difluoro-N-phenylbutanamide
CID 131059355
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide
CID 132525792
2-butyl-2-ethyl-N,N'-diphenylpropanediamide
CID 170847638
2-chloro-2-methoxy-N-phenylbutanamide
CID 21464678
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
CID 90850690
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
2-amino-2-methyl-N-phenylhexanamide
CID 170712188

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-phenylbutanamide?
The IUPAC name of 2-fluoro-2-methyl-N-phenylbutanamide (CID 132540278) is 2-fluoro-2-methyl-N-phenylbutanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-phenylbutanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-phenylbutanamide is CCC(C)(F)C(=O)Nc1ccccc1.
What is the InChIKey of 2-fluoro-2-methyl-N-phenylbutanamide?
The InChIKey is NBXCEGFYBRFQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-11(2,12)10(14)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-2-methyl-N-phenylbutanamide?
2-fluoro-2-methyl-N-phenylbutanamide has a molecular weight of 195.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-phenylbutanamide is sourced from PubChem (CID 132540278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).