2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide

C18H19BrN2O3 — CID 113173420

IUPAC2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(C)c(Br)c2)C(C)=O)c1
InChIInChI=1S/C18H19BrN2O3/c1-12-7-8-14(9-17(12)19)20-18(23)11-21(13(2)22)15-5-4-6-16(10-15)24-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyWQRDBTFZYVYIPM-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.76
Rot. Bonds5

About 2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide

2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide (PubChem CID 113173420) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide
PubChem CID113173420
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(C)c(Br)c2)C(C)=O)c1
InChIInChI=1S/C18H19BrN2O3/c1-12-7-8-14(9-17(12)19)20-18(23)11-21(13(2)22)15-5-4-6-16(10-15)24-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyWQRDBTFZYVYIPM-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198492
2-(N-acetyl-3-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113167583
2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide
CID 113173405
2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 113177692
2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113173445
2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175802
2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 113173092
2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175462
2-(N-acetyl-5-chloro-2-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113171944
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide
CID 113175338

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide (CID 113173420) is 2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide is COc1cccc(N(CC(=O)Nc2ccc(C)c(Br)c2)C(C)=O)c1.
What is the InChIKey of 2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide?
The InChIKey is WQRDBTFZYVYIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12-7-8-14(9-17(12)19)20-18(23)11-21(13(2)22)15-5-4-6-16(10-15)24-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide?
2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 113173420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).