phenacyl 4-[(4-bromobenzoyl)amino]benzoate

C22H16BrNO4 — CID 2265866

IUPACphenacyl 4-[(4-bromobenzoyl)amino]benzoate
SMILESO=C(COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1
InChIInChI=1S/C22H16BrNO4/c23-18-10-6-16(7-11-18)21(26)24-19-12-8-17(9-13-19)22(27)28-14-20(25)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,26)
InChIKeyKMECMESNMZZBGQ-UHFFFAOYSA-N
MW438.28 g/mol
LogP4.74
Rot. Bonds6

About phenacyl 4-[(4-bromobenzoyl)amino]benzoate

phenacyl 4-[(4-bromobenzoyl)amino]benzoate (PubChem CID 2265866) has the molecular formula C22H16BrNO4 and a molecular weight of 438.28 g/mol. Its IUPAC name is phenacyl 4-[(4-bromobenzoyl)amino]benzoate.

Molecular Properties

Compound Namephenacyl 4-[(4-bromobenzoyl)amino]benzoate
PubChem CID2265866
Molecular FormulaC22H16BrNO4
Molecular Weight438.28 g/mol
Exact Mass437.03
IUPAC Namephenacyl 4-[(4-bromobenzoyl)amino]benzoate
SMILESO=C(COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1
InChIInChI=1S/C22H16BrNO4/c23-18-10-6-16(7-11-18)21(26)24-19-12-8-17(9-13-19)22(27)28-14-20(25)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,26)
InChIKeyKMECMESNMZZBGQ-UHFFFAOYSA-N
XLogP4.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-benzamidophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 5209942
[2-(4-bromophenyl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029130
(E)-4-[4-[2-(4-bromophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobut-2-enoic acid
CID 22779600
[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7569925
phenacyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 2369072
[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
CID 7489555
[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate
CID 16645357
[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7628104
[2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16569415
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570

Frequently Asked Questions

What is the IUPAC name of phenacyl 4-[(4-bromobenzoyl)amino]benzoate?
The IUPAC name of phenacyl 4-[(4-bromobenzoyl)amino]benzoate (CID 2265866) is phenacyl 4-[(4-bromobenzoyl)amino]benzoate.
What is the SMILES notation for phenacyl 4-[(4-bromobenzoyl)amino]benzoate?
The canonical SMILES for phenacyl 4-[(4-bromobenzoyl)amino]benzoate is O=C(COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1.
What is the InChIKey of phenacyl 4-[(4-bromobenzoyl)amino]benzoate?
The InChIKey is KMECMESNMZZBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrNO4/c23-18-10-6-16(7-11-18)21(26)24-19-12-8-17(9-13-19)22(27)28-14-20(25)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,26).
What are the key properties of phenacyl 4-[(4-bromobenzoyl)amino]benzoate?
phenacyl 4-[(4-bromobenzoyl)amino]benzoate has a molecular weight of 438.28 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 4-[(4-bromobenzoyl)amino]benzoate is sourced from PubChem (CID 2265866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).