[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate

C22H16FNO4 — CID 16645357

IUPAC[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H16FNO4/c23-18-11-9-16(10-12-18)22(27)28-14-20(25)17-7-4-8-19(13-17)24-21(26)15-5-2-1-3-6-15/h1-13H,14H2,(H,24,26)
InChIKeyASINMLSAKMYWDJ-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.12
Rot. Bonds6

About [2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate

[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 16645357) has the molecular formula C22H16FNO4 and a molecular weight of 377.37 g/mol. Its IUPAC name is [2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate
PubChem CID16645357
Molecular FormulaC22H16FNO4
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC Name[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H16FNO4/c23-18-11-9-16(10-12-18)22(27)28-14-20(25)17-7-4-8-19(13-17)24-21(26)15-5-2-1-3-6-15/h1-13H,14H2,(H,24,26)
InChIKeyASINMLSAKMYWDJ-UHFFFAOYSA-N
XLogP4.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 8676222
phenacyl 4-[(4-bromobenzoyl)amino]benzoate
CID 2265866
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate
CID 126188615
[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate
CID 1217731
[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
CID 3409068
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7569925
propyl 3-[[4-(2-oxo-2-phenylacetyl)benzoyl]amino]benzoate
CID 2787450
[2-(4-benzamidophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 5209942
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606526
2-methylpropyl 3-benzamidobenzoate
CID 691358

Frequently Asked Questions

What is the IUPAC name of [2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate (CID 16645357) is [2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of [2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is ASINMLSAKMYWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4/c23-18-11-9-16(10-12-18)22(27)28-14-20(25)17-7-4-8-19(13-17)24-21(26)15-5-2-1-3-6-15/h1-13H,14H2,(H,24,26).
What are the key properties of [2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate?
[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 377.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 16645357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).