2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide

C16H16ClFN2O — CID 42125202

IUPAC2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide
SMILESCc1cc(C)c(NCC(=O)Nc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-6-11(2)16(14(17)7-10)19-9-15(21)20-13-5-3-4-12(18)8-13/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyARMBGJXAEPPRIB-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.15
Rot. Bonds4

About 2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide

2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide (PubChem CID 42125202) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide
PubChem CID42125202
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide
SMILESCc1cc(C)c(NCC(=O)Nc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-6-11(2)16(14(17)7-10)19-9-15(21)20-13-5-3-4-12(18)8-13/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyARMBGJXAEPPRIB-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
2-(2-chloro-6-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 104530695
2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide
CID 42125098
2-(2-chloro-4,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 42125159
2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26506345
2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 42125199
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29046314
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
2-(5-bromo-2-chloroanilino)-N-(3-fluorophenyl)acetamide
CID 62914693
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide (CID 42125202) is 2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide is Cc1cc(C)c(NCC(=O)Nc2cccc(F)c2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide?
The InChIKey is ARMBGJXAEPPRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-6-11(2)16(14(17)7-10)19-9-15(21)20-13-5-3-4-12(18)8-13/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide?
2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide has a molecular weight of 306.77 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 42125202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).