2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide

C18H19BrN2O2 — CID 112996471

IUPAC2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CNC(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C18H19BrN2O2/c1-12-6-7-13(2)16(8-12)21-18(23)11-20-17(22)10-14-4-3-5-15(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAZZINTVFMWWBDI-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.36
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide

2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide (PubChem CID 112996471) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide
PubChem CID112996471
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CNC(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C18H19BrN2O2/c1-12-6-7-13(2)16(8-12)21-18(23)11-20-17(22)10-14-4-3-5-15(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAZZINTVFMWWBDI-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 112996725
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947
2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide
CID 112997653
2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998184
2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
CID 113000854
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 113002377
N-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43806426

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide (CID 112996471) is 2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide is Cc1ccc(C)c(NC(=O)CNC(=O)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide?
The InChIKey is AZZINTVFMWWBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-6-7-13(2)16(8-12)21-18(23)11-20-17(22)10-14-4-3-5-15(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide?
2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide has a molecular weight of 375.27 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112996471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).