2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide

C18H19F2N3O2 — CID 113181515

IUPAC2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)c1c(F)cccc1F
InChIInChI=1S/C18H19F2N3O2/c1-12(24)23(18-15(19)5-4-6-16(18)20)11-17(25)21-13-7-9-14(10-8-13)22(2)3/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyWCNIJZBEUBYWML-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.02
Rot. Bonds5

About 2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide

2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 113181515) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID113181515
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)c1c(F)cccc1F
InChIInChI=1S/C18H19F2N3O2/c1-12(24)23(18-15(19)5-4-6-16(18)20)11-17(25)21-13-7-9-14(10-8-13)22(2)3/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyWCNIJZBEUBYWML-UHFFFAOYSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113181479
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178618
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-(N-acetyl-2,6-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113181456
2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181503
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
CID 113176766
2-(N-acetyl-2,6-difluoroanilino)-N-(2-bromophenyl)acetamide
CID 113181523
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
CID 108954767
2-(N-acetyl-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 113170796

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide (CID 113181515) is 2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)c1c(F)cccc1F.
What is the InChIKey of 2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is WCNIJZBEUBYWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-12(24)23(18-15(19)5-4-6-16(18)20)11-17(25)21-13-7-9-14(10-8-13)22(2)3/h4-10H,11H2,1-3H3,(H,21,25).
What are the key properties of 2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide?
2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 113181515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).