2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide

C18H19FN2O4 — CID 113174637

IUPAC2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2cccc(F)c2)C(C)=O)c1
InChIInChI=1S/C18H19FN2O4/c1-12(22)21(16-10-15(24-2)7-8-17(16)25-3)11-18(23)20-14-6-4-5-13(19)9-14/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyCVNMUSYTBJKZDB-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.83
Rot. Bonds6

About 2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide

2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide (PubChem CID 113174637) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide
PubChem CID113174637
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2cccc(F)c2)C(C)=O)c1
InChIInChI=1S/C18H19FN2O4/c1-12(22)21(16-10-15(24-2)7-8-17(16)25-3)11-18(23)20-14-6-4-5-13(19)9-14/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyCVNMUSYTBJKZDB-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 113177692
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113174587
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174647
2-(N-acetyl-2,4-difluoroanilino)-N-(3-fluorophenyl)acetamide
CID 113179072
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,3-dichlorophenyl)acetamide
CID 113174648
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174325
methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 113176144
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 113174616
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113174598
2-(N-acetyl-2,4-dichloroanilino)-N-(3-fluorophenyl)acetamide
CID 113179657
N-(4-acetamidophenyl)-2-(N-acetyl-2,4-dimethoxyanilino)acetamide
CID 113174784
3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide
CID 113130052

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide (CID 113174637) is 2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide is COc1ccc(OC)c(N(CC(=O)Nc2cccc(F)c2)C(C)=O)c1.
What is the InChIKey of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide?
The InChIKey is CVNMUSYTBJKZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-12(22)21(16-10-15(24-2)7-8-17(16)25-3)11-18(23)20-14-6-4-5-13(19)9-14/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide?
2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide has a molecular weight of 346.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113174637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).