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

C16H17BrN2O2 — CID 109009113

IUPACN-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-3-8-15(14(17)9-11)19-16(20)10-18-12-4-6-13(21-2)7-5-12/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyYJRNQYYXXDBBFB-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.82
Rot. Bonds5

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

N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide (PubChem CID 109009113) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
PubChem CID109009113
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-3-8-15(14(17)9-11)19-16(20)10-18-12-4-6-13(21-2)7-5-12/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyYJRNQYYXXDBBFB-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009601
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 9098661
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 108998576
4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9084001
N-(2-bromo-4-methylphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040499
N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713871
N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022539
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761613
N-(2-bromo-4-methylphenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 113197623
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
N-(2-bromo-4-methylphenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112804460

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide (CID 109009113) is N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2ccc(C)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide?
The InChIKey is YJRNQYYXXDBBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-3-8-15(14(17)9-11)19-16(20)10-18-12-4-6-13(21-2)7-5-12/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide?
N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 109009113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).