2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide

C18H19BrN2O3 — CID 113173092

IUPAC2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C(C)=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-12-8-9-14(10-15(12)19)21(13(2)22)11-18(23)20-16-6-4-5-7-17(16)24-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyKQQBULBOGIPILP-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.76
Rot. Bonds5

About 2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide

2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide (PubChem CID 113173092) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide
PubChem CID113173092
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C(C)=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-12-8-9-14(10-15(12)19)21(13(2)22)11-18(23)20-16-6-4-5-7-17(16)24-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyKQQBULBOGIPILP-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-(N-acetyl-4-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 113167779
2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-cyanophenyl)acetamide
CID 113173097
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 113172743
2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 113173420
2-(N-acetyl-3,4-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113168421
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide
CID 113178206
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 113181493
2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide
CID 113168590
2-(N-acetyl-3-methoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 113173424
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide (CID 113173092) is 2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(C(C)=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide?
The InChIKey is KQQBULBOGIPILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12-8-9-14(10-15(12)19)21(13(2)22)11-18(23)20-16-6-4-5-7-17(16)24-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide?
2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)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-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 113173092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).