3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide

C11H14F2N2O — CID 115153564

IUPAC3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O/c1-7(6-14)11(16)15(2)10-4-3-8(12)5-9(10)13/h3-5,7H,6,14H2,1-2H3
InChIKeyIBAIFBGFPDAJEC-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.52
Rot. Bonds3

About 3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide

3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide (PubChem CID 115153564) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide
PubChem CID115153564
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O/c1-7(6-14)11(16)15(2)10-4-3-8(12)5-9(10)13/h3-5,7H,6,14H2,1-2H3
InChIKeyIBAIFBGFPDAJEC-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide
CID 115188569
2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide
CID 115187511
1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182616
methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate
CID 115142279
methyl N-(2,4-difluorophenyl)-N-methylcarbamate
CID 67276002
4-amino-N-(4-fluorophenyl)-N,2-dimethylbutanamide
CID 80543840
3-[2,4-difluoro-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
CID 82321057
3-amino-N,2-dimethyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115153583
3-(2,4-difluoro-N-methylanilino)butanoic acid
CID 82115485
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide
CID 139533695
5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide
CID 113440979

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide (CID 115153564) is 3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide is CC(CN)C(=O)N(C)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide?
The InChIKey is IBAIFBGFPDAJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7(6-14)11(16)15(2)10-4-3-8(12)5-9(10)13/h3-5,7H,6,14H2,1-2H3.
What are the key properties of 3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide?
3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide has a molecular weight of 228.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 115153564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).