4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide

C28H24FN3O4 — CID 55989473

IUPAC4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CNc2ccccc2Oc2cccc(F)c2)cc1
InChIInChI=1S/C28H24FN3O4/c1-35-25-11-4-3-10-24(25)32-28(34)19-13-15-21(16-14-19)31-27(33)18-30-23-9-2-5-12-26(23)36-22-8-6-7-20(29)17-22/h2-17,30H,18H2,1H3,(H,31,33)(H,32,34)
InChIKeySRGTXIUZDYEQTL-UHFFFAOYSA-N
MW485.52 g/mol
LogP5.93
Rot. Bonds9

About 4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide

4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 55989473) has the molecular formula C28H24FN3O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is 4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
PubChem CID55989473
Molecular FormulaC28H24FN3O4
Molecular Weight485.52 g/mol
Exact Mass485.18
IUPAC Name4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CNc2ccccc2Oc2cccc(F)c2)cc1
InChIInChI=1S/C28H24FN3O4/c1-35-25-11-4-3-10-24(25)32-28(34)19-13-15-21(16-14-19)31-27(33)18-30-23-9-2-5-12-26(23)36-22-8-6-7-20(29)17-22/h2-17,30H,18H2,1H3,(H,31,33)(H,32,34)
InChIKeySRGTXIUZDYEQTL-UHFFFAOYSA-N
XLogP5.93
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.52
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide
CID 55981707
N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide
CID 18266904
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 4793619
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 52725278
2-(2-methoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54817190
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195
4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 35504895
N-(2-methoxyphenyl)-4-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8898758

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide (CID 55989473) is 4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CNc2ccccc2Oc2cccc(F)c2)cc1.
What is the InChIKey of 4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is SRGTXIUZDYEQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O4/c1-35-25-11-4-3-10-24(25)32-28(34)19-13-15-21(16-14-19)31-27(33)18-30-23-9-2-5-12-26(23)36-22-8-6-7-20(29)17-22/h2-17,30H,18H2,1H3,(H,31,33)(H,32,34).
What are the key properties of 4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 485.52 g/mol, XLogP of 5.93, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 55989473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).