N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide

C16H16ClFN2O — CID 103144428

IUPACN-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCc1cc(NC(=O)Cc2c(F)cccc2Cl)c(C)cc1N
InChIInChI=1S/C16H16ClFN2O/c1-9-7-15(10(2)6-14(9)19)20-16(21)8-11-12(17)4-3-5-13(11)18/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyBIOCBUVFYKXBIF-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.86
Rot. Bonds3

About N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide

N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 103144428) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID103144428
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCc1cc(NC(=O)Cc2c(F)cccc2Cl)c(C)cc1N
InChIInChI=1S/C16H16ClFN2O/c1-9-7-15(10(2)6-14(9)19)20-16(21)8-11-12(17)4-3-5-13(11)18/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyBIOCBUVFYKXBIF-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.86
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-(4-amino-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 28933939
2-(2,6-difluorophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106834565
N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 60795091
2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933
N-(2-bromo-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81271848
N-(2-bromo-5-chlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81271948
2-(2-chloro-6-fluorophenyl)-N-(2-ethylphenyl)acetamide
CID 839109
N-(2-chloro-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 7959366
N-(4-amino-3,5-dichlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 24535666
N-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 28938648
N-(2-amino-4,6-dibromophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 43548456
N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 107583887

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide (CID 103144428) is N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide is Cc1cc(NC(=O)Cc2c(F)cccc2Cl)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is BIOCBUVFYKXBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-9-7-15(10(2)6-14(9)19)20-16(21)8-11-12(17)4-3-5-13(11)18/h3-7H,8,19H2,1-2H3,(H,20,21).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 306.77 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 103144428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).