2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide

C23H22BrNO2 — CID 14149400

IUPAC2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
SMILESBr.O=C(CN(CC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2.BrH/c25-22(20-12-6-2-7-13-20)17-24(16-19-10-4-1-5-11-19)18-23(26)21-14-8-3-9-15-21;/h1-15H,16-18H2;1H
InChIKeyOHPONYBKLKSYIZ-UHFFFAOYSA-N
MW424.34 g/mol
LogP4.83
Rot. Bonds8

About 2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide

2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide (PubChem CID 14149400) has the molecular formula C23H22BrNO2 and a molecular weight of 424.34 g/mol. Its IUPAC name is 2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide.

Molecular Properties

Compound Name2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
PubChem CID14149400
Molecular FormulaC23H22BrNO2
Molecular Weight424.34 g/mol
Exact Mass423.08
IUPAC Name2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
SMILESBr.O=C(CN(CC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2.BrH/c25-22(20-12-6-2-7-13-20)17-24(16-19-10-4-1-5-11-19)18-23(26)21-14-8-3-9-15-21;/h1-15H,16-18H2;1H
InChIKeyOHPONYBKLKSYIZ-UHFFFAOYSA-N
XLogP4.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(phenacyl)amino]propanenitrile
CID 12922240
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 60649817
N-benzyl-N-phenacylacetamide
CID 10587901
2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62114939
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649875
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
[4-[2-(dibenzylamino)acetyl]phenyl] pentanoate
CID 140806629
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
3-[phenacyl(2-phenylethyl)amino]propanenitrile
CID 70464918
ethyl(phenacyl)carbamic acid
CID 70573901

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide?
The IUPAC name of 2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide (CID 14149400) is 2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide.
What is the SMILES notation for 2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide?
The canonical SMILES for 2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide is Br.O=C(CN(CC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide?
The InChIKey is OHPONYBKLKSYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2.BrH/c25-22(20-12-6-2-7-13-20)17-24(16-19-10-4-1-5-11-19)18-23(26)21-14-8-3-9-15-21;/h1-15H,16-18H2;1H.
What are the key properties of 2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide?
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide has a molecular weight of 424.34 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide is sourced from PubChem (CID 14149400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).