2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide

C24H24BrN3O2 — CID 4781133

IUPAC2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24BrN3O2/c1-28(16-22(29)26-21-15-9-8-14-20(21)25)17-23(30)27-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,24H,16-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyWNFOBVRKNBKGFC-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.23
Rot. Bonds8

About 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide

2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide (PubChem CID 4781133) has the molecular formula C24H24BrN3O2 and a molecular weight of 466.38 g/mol. Its IUPAC name is 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide
PubChem CID4781133
Molecular FormulaC24H24BrN3O2
Molecular Weight466.38 g/mol
Exact Mass465.11
IUPAC Name2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24BrN3O2/c1-28(16-22(29)26-21-15-9-8-14-20(21)25)17-23(30)27-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,24H,16-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyWNFOBVRKNBKGFC-UHFFFAOYSA-N
XLogP4.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 9842609
Nbd-557
CID 5279270
1-(2-Bromophenyl)-3-{2-[ethyl(2-methylphenyl)amino]ethyl}urea
CID 24768237
1-(2-Bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino]ethyl}urea
CID 24768238
urea TRPV1 antagonist, 21
CID 24768243
N-(4-Bromo-phenyl)-2-(3,4-dimethyl-phenylamino)-acetamide
CID 832423
1-(2-Bromophenyl)-3-{2-[methyl(3-methylphenyl)amino]ethyl}urea
CID 24768233
1-{2-[Benzyl(3-methylphenyl)amino]ethyl}-3-(2-bromophenyl)urea
CID 24768234
N-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-(3-methylphenyl)acetamide
CID 24768235
2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 856355
N-(2-bromophenyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 2404945
N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 2530900

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide (CID 4781133) is 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide is CN(CC(=O)Nc1ccccc1Br)CC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide?
The InChIKey is WNFOBVRKNBKGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O2/c1-28(16-22(29)26-21-15-9-8-14-20(21)25)17-23(30)27-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,24H,16-17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide?
2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide has a molecular weight of 466.38 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 4781133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).