2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide

C18H20FN3O3 — CID 31673267

IUPAC2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(=O)NCc1ccccc1F
InChIInChI=1S/C18H20FN3O3/c1-12(23)22-14-7-8-17(25-2)16(9-14)20-11-18(24)21-10-13-5-3-4-6-15(13)19/h3-9,20H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyXUSPOIZJFUKQOC-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.52
Rot. Bonds7

About 2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide

2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 31673267) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID31673267
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(=O)NCc1ccccc1F
InChIInChI=1S/C18H20FN3O3/c1-12(23)22-14-7-8-17(25-2)16(9-14)20-11-18(24)21-10-13-5-3-4-6-15(13)19/h3-9,20H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyXUSPOIZJFUKQOC-UHFFFAOYSA-N
XLogP2.52
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
2-(5-acetamido-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965842
2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 37262693
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide
CID 112992471
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
N-[3-[(3-fluorophenyl)methylamino]-4-methoxyphenyl]acetamide
CID 24583317
2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 51225001
N-(5-acetamido-2-methoxyphenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18088438
2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 2537006
2-(5-fluoro-2-methylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31667661

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide (CID 31673267) is 2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide is COc1ccc(NC(C)=O)cc1NCC(=O)NCc1ccccc1F.
What is the InChIKey of 2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is XUSPOIZJFUKQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12(23)22-14-7-8-17(25-2)16(9-14)20-11-18(24)21-10-13-5-3-4-6-15(13)19/h3-9,20H,10-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide?
2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 31673267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).