2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide

C23H23BrN2O2 — CID 112797150

IUPAC2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide
SMILESCOc1ccc(C(C)NCC(=O)Nc2ccccc2-c2ccccc2)cc1Br
InChIInChI=1S/C23H23BrN2O2/c1-16(18-12-13-22(28-2)20(24)14-18)25-15-23(27)26-21-11-7-6-10-19(21)17-8-4-3-5-9-17/h3-14,16,25H,15H2,1-2H3,(H,26,27)
InChIKeyNYTOIRPSFQNWKB-UHFFFAOYSA-N
MW439.35 g/mol
LogP5.41
Rot. Bonds7

About 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide

2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide (PubChem CID 112797150) has the molecular formula C23H23BrN2O2 and a molecular weight of 439.35 g/mol. Its IUPAC name is 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide
PubChem CID112797150
Molecular FormulaC23H23BrN2O2
Molecular Weight439.35 g/mol
Exact Mass438.09
IUPAC Name2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide
SMILESCOc1ccc(C(C)NCC(=O)Nc2ccccc2-c2ccccc2)cc1Br
InChIInChI=1S/C23H23BrN2O2/c1-16(18-12-13-22(28-2)20(24)14-18)25-15-23(27)26-21-11-7-6-10-19(21)17-8-4-3-5-9-17/h3-14,16,25H,15H2,1-2H3,(H,26,27)
InChIKeyNYTOIRPSFQNWKB-UHFFFAOYSA-N
XLogP5.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide
CID 112797136
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(3,5-dimethylphenyl)acetamide
CID 112797123
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 84897745
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 9001008
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9001033
N-(2,5-dimethoxyphenyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 17457335
2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9001281
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 112797144
2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9001809
2-(2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 9080600
(2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid
CID 122099893
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 9001571

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide (CID 112797150) is 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide is COc1ccc(C(C)NCC(=O)Nc2ccccc2-c2ccccc2)cc1Br.
What is the InChIKey of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide?
The InChIKey is NYTOIRPSFQNWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O2/c1-16(18-12-13-22(28-2)20(24)14-18)25-15-23(27)26-21-11-7-6-10-19(21)17-8-4-3-5-9-17/h3-14,16,25H,15H2,1-2H3,(H,26,27).
What are the key properties of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide?
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide has a molecular weight of 439.35 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 112797150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).