2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C19H21BrN2O2 — CID 112997253

IUPAC2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C19H21BrN2O2/c1-12-7-13(2)19(14(3)8-12)22-18(24)11-21-17(23)10-15-5-4-6-16(20)9-15/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNUGIEBXILZCLQF-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.67
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 112997253) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID112997253
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C19H21BrN2O2/c1-12-7-13(2)19(14(3)8-12)22-18(24)11-21-17(23)10-15-5-4-6-16(20)9-15/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNUGIEBXILZCLQF-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide
CID 112996471
2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 112996725
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)acetamide
CID 7676831
2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998184
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 113002377
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide
CID 112997653
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 112997253) is 2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CNC(=O)Cc2cccc(Br)c2)c(C)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is NUGIEBXILZCLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12-7-13(2)19(14(3)8-12)22-18(24)11-21-17(23)10-15-5-4-6-16(20)9-15/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 389.29 g/mol, XLogP of 3.67, 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-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 112997253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).