2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide

C17H17FN2O3 — CID 113177692

IUPAC2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C(C)=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H17FN2O3/c1-12(21)20(15-7-3-5-13(18)9-15)11-17(22)19-14-6-4-8-16(10-14)23-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyNGJRHIUQHLAXBP-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.83
Rot. Bonds5

About 2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide

2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide (PubChem CID 113177692) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
PubChem CID113177692
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C(C)=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H17FN2O3/c1-12(21)20(15-7-3-5-13(18)9-15)11-17(22)19-14-6-4-8-16(10-14)23-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyNGJRHIUQHLAXBP-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113167583
N-(4-acetamidophenyl)-2-(N-acetyl-3-fluoroanilino)acetamide
CID 113177708
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide
CID 113175338
2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174637
2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113177608
2-(N-acetyl-3-fluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113177666
2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide
CID 113173405
2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 113173420
methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 113176144
2-(N-acetyl-3-fluoroanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177670
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide (CID 113177692) is 2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C(C)=O)c2cccc(F)c2)c1.
What is the InChIKey of 2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide?
The InChIKey is NGJRHIUQHLAXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-12(21)20(15-7-3-5-13(18)9-15)11-17(22)19-14-6-4-8-16(10-14)23-2/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide?
2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide has a molecular weight of 316.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113177692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).