N-(4-fluoro-3-methylphenyl)-3-methylbutanamide

C12H16FNO — CID 110776354

IUPACN-(4-fluoro-3-methylphenyl)-3-methylbutanamide
SMILESCc1cc(NC(=O)CC(C)C)ccc1F
InChIInChI=1S/C12H16FNO/c1-8(2)6-12(15)14-10-4-5-11(13)9(3)7-10/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChIKeyARBFJPHBJFSXMW-UHFFFAOYSA-N
MW209.26 g/mol
LogP3.12
Rot. Bonds3

About N-(4-fluoro-3-methylphenyl)-3-methylbutanamide

N-(4-fluoro-3-methylphenyl)-3-methylbutanamide (PubChem CID 110776354) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-methylbutanamide
PubChem CID110776354
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-methylbutanamide
SMILESCc1cc(NC(=O)CC(C)C)ccc1F
InChIInChI=1S/C12H16FNO/c1-8(2)6-12(15)14-10-4-5-11(13)9(3)7-10/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChIKeyARBFJPHBJFSXMW-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
[2-fluoro-5-(3-methylbutanoylamino)phenyl]boronic acid
CID 164647260
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115140347
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 76949808
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028667
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-methylbutanamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-methylbutanamide (CID 110776354) is N-(4-fluoro-3-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-methylbutanamide is Cc1cc(NC(=O)CC(C)C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-methylbutanamide?
The InChIKey is ARBFJPHBJFSXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(2)6-12(15)14-10-4-5-11(13)9(3)7-10/h4-5,7-8H,6H2,1-3H3,(H,14,15).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-methylbutanamide?
N-(4-fluoro-3-methylphenyl)-3-methylbutanamide has a molecular weight of 209.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 110776354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).