N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide

C17H17BrN2O3 — CID 5153550

IUPACN-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H17BrN2O3/c1-10-8-12(18)9-15(16(10)23-3)17(22)20-14-6-4-13(5-7-14)19-11(2)21/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyHGEKXUFYEPZYIJ-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.98
Rot. Bonds4

About N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide

N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide (PubChem CID 5153550) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
PubChem CID5153550
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H17BrN2O3/c1-10-8-12(18)9-15(16(10)23-3)17(22)20-14-6-4-13(5-7-14)19-11(2)21/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyHGEKXUFYEPZYIJ-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 3950855
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3967891
N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 3433416
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1299265
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
CID 110762997
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
CID 28674733
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 3379612

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide?
The IUPAC name of N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide (CID 5153550) is N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide is COc1c(C)cc(Br)cc1C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide?
The InChIKey is HGEKXUFYEPZYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-10-8-12(18)9-15(16(10)23-3)17(22)20-14-6-4-13(5-7-14)19-11(2)21/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide?
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide has a molecular weight of 377.24 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 5153550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).