N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide

C16H17FN2O — CID 104757005

IUPACN-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cc2cccc(F)c2)cc1N
InChIInChI=1S/C16H17FN2O/c1-10-6-11(2)15(9-14(10)18)19-16(20)8-12-4-3-5-13(17)7-12/h3-7,9H,8,18H2,1-2H3,(H,19,20)
InChIKeyJZBXVXOPIOKNHD-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.21
Rot. Bonds3

About N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide

N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide (PubChem CID 104757005) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
PubChem CID104757005
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cc2cccc(F)c2)cc1N
InChIInChI=1S/C16H17FN2O/c1-10-6-11(2)15(9-14(10)18)19-16(20)8-12-4-3-5-13(17)7-12/h3-7,9H,8,18H2,1-2H3,(H,19,20)
InChIKeyJZBXVXOPIOKNHD-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575
N-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43806426
N-(2-amino-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43259058
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128
1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea
CID 104757285
N-(4-amino-2,5-dimethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 103144419
2-(3-fluorophenyl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64793447
N-(2-amino-6-bromo-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 116813640
N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide
CID 46467166
2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107590864
2-(3-fluorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 154859403
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide (CID 104757005) is N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide is Cc1cc(C)c(NC(=O)Cc2cccc(F)c2)cc1N.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide?
The InChIKey is JZBXVXOPIOKNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-6-11(2)15(9-14(10)18)19-16(20)8-12-4-3-5-13(17)7-12/h3-7,9H,8,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide?
N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide has a molecular weight of 272.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 104757005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).