N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide

C12H16FNO — CID 63235993

IUPACN-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)ccc1F
InChIInChI=1S/C12H16FNO/c1-8-7-9(5-6-10(8)13)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyLIODOMHKEOBZMH-UHFFFAOYSA-N
MW209.26 g/mol
LogP3.12
Rot. Bonds1

About N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide

N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide (PubChem CID 63235993) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
PubChem CID63235993
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)ccc1F
InChIInChI=1S/C12H16FNO/c1-8-7-9(5-6-10(8)13)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyLIODOMHKEOBZMH-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide
CID 55118792
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
N-(3,4-difluorophenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967993
tert-butyl 2-(4-fluoro-3-methylanilino)-2-oxoacetate
CID 115141620
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62813765
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
5-(2,2-dimethylpropanoylamino)-2-methylbenzoic acid
CID 63652956
N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115140347
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 62813947
(E)-3-[5-(2,2-dimethylpropanoylamino)-2-fluorophenyl]prop-2-enoic acid
CID 104781376
N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylpropanamide
CID 62317574

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide (CID 63235993) is N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide is Cc1cc(NC(=O)C(C)(C)C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide?
The InChIKey is LIODOMHKEOBZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-7-9(5-6-10(8)13)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide?
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide has a molecular weight of 209.26 g/mol, XLogP of 3.12, 1 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 63235993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).