2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide

C16H18FN3O — CID 106759867

IUPAC2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
SMILESCN(C)c1ccccc1NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H18FN3O/c1-20(2)15-9-4-3-8-14(15)18-11-16(21)19-13-7-5-6-12(17)10-13/h3-10,18H,11H2,1-2H3,(H,19,21)
InChIKeySIQATHCWTSMTFT-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.94
Rot. Bonds5

About 2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide

2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide (PubChem CID 106759867) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
PubChem CID106759867
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
SMILESCN(C)c1ccccc1NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H18FN3O/c1-20(2)15-9-4-3-8-14(15)18-11-16(21)19-13-7-5-6-12(17)10-13/h3-10,18H,11H2,1-2H3,(H,19,21)
InChIKeySIQATHCWTSMTFT-UHFFFAOYSA-N
XLogP2.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
CID 47077664
2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176
2-[2-(dimethylamino)anilino]-N-(2-fluorophenyl)acetamide
CID 106759760
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29046314
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161
2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide
CID 38255919
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
2-(3-fluoroanilino)-N-(2-iodophenyl)acetamide
CID 26506350
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 31418097

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide (CID 106759867) is 2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide is CN(C)c1ccccc1NCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide?
The InChIKey is SIQATHCWTSMTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-20(2)15-9-4-3-8-14(15)18-11-16(21)19-13-7-5-6-12(17)10-13/h3-10,18H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide?
2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide has a molecular weight of 287.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 106759867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).