benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate

C23H19BrN2O4 — CID 1104903

IUPACbenzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H19BrN2O4/c24-18-11-12-20(19(13-18)22(28)17-9-5-2-6-10-17)26-21(27)14-25-23(29)30-15-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,25,29)(H,26,27)
InChIKeyUOZBBLJXCYMRJT-UHFFFAOYSA-N
MW467.32 g/mol
LogP4.55
Rot. Bonds7

About benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate

benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate (PubChem CID 1104903) has the molecular formula C23H19BrN2O4 and a molecular weight of 467.32 g/mol. Its IUPAC name is benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate
PubChem CID1104903
Molecular FormulaC23H19BrN2O4
Molecular Weight467.32 g/mol
Exact Mass466.05
IUPAC Namebenzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H19BrN2O4/c24-18-11-12-20(19(13-18)22(28)17-9-5-2-6-10-17)26-21(27)14-25-23(29)30-15-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,25,29)(H,26,27)
InChIKeyUOZBBLJXCYMRJT-UHFFFAOYSA-N
XLogP4.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate (CID 1104903) is benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate?
The InChIKey is UOZBBLJXCYMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O4/c24-18-11-12-20(19(13-18)22(28)17-9-5-2-6-10-17)26-21(27)14-25-23(29)30-15-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,25,29)(H,26,27).
What are the key properties of benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate?
benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate has a molecular weight of 467.32 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 1104903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).