2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide

C18H20FN3O2 — CID 47077664

IUPAC2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H20FN3O2/c1-22(2)18(24)10-13-6-3-4-9-16(13)20-12-17(23)21-15-8-5-7-14(19)11-15/h3-9,11,20H,10,12H2,1-2H3,(H,21,23)
InChIKeyIUFXNLVRZSBRCY-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.51
Rot. Bonds6

About 2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide

2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide (PubChem CID 47077664) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
PubChem CID47077664
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H20FN3O2/c1-22(2)18(24)10-13-6-3-4-9-16(13)20-12-17(23)21-15-8-5-7-14(19)11-15/h3-9,11,20H,10,12H2,1-2H3,(H,21,23)
InChIKeyIUFXNLVRZSBRCY-UHFFFAOYSA-N
XLogP2.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176
2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 106759867
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
N,N-dimethyl-2-[2-[[2-oxo-2-(propylamino)ethyl]amino]phenyl]acetamide
CID 47409577
N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29046314
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
N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide (CID 47077664) is 2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccccc1NCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is IUFXNLVRZSBRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-22(2)18(24)10-13-6-3-4-9-16(13)20-12-17(23)21-15-8-5-7-14(19)11-15/h3-9,11,20H,10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide?
2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 329.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 47077664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).