3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide

C20H23BrN2O3 — CID 17445264

IUPAC3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C20H23BrN2O3/c1-14-6-4-9-18(15(14)2)22-19(24)13-23(10-11-26-3)20(25)16-7-5-8-17(21)12-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyJNNWBTGZYAMQTP-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.79
Rot. Bonds7

About 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide

3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide (PubChem CID 17445264) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
PubChem CID17445264
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C20H23BrN2O3/c1-14-6-4-9-18(15(14)2)22-19(24)13-23(10-11-26-3)20(25)16-7-5-8-17(21)12-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyJNNWBTGZYAMQTP-UHFFFAOYSA-N
XLogP3.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 17412994
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 17467417
3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8553890
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836295
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 112996725
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24684527
3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 8504506
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8504343
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
3-bromo-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100932

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide (CID 17445264) is 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is JNNWBTGZYAMQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-14-6-4-9-18(15(14)2)22-19(24)13-23(10-11-26-3)20(25)16-7-5-8-17(21)12-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,24).
What are the key properties of 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 419.32 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 17445264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).