N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide

C13H18BrNO2 — CID 110788017

IUPACN-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccc(Br)cc1CCNC(=O)C(C)C
InChIInChI=1S/C13H18BrNO2/c1-9(2)13(16)15-7-6-10-8-11(14)4-5-12(10)17-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyIRXQJXNAYGAFTL-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide

N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide (PubChem CID 110788017) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
PubChem CID110788017
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccc(Br)cc1CCNC(=O)C(C)C
InChIInChI=1S/C13H18BrNO2/c1-9(2)13(16)15-7-6-10-8-11(14)4-5-12(10)17-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyIRXQJXNAYGAFTL-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(5-bromo-2-methoxyphenyl)ethylamino]-2-oxoacetate
CID 115142532
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide
CID 115156776
2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide
CID 115187049
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 115152018
N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
CID 110788021
2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol
CID 115252199
N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110788022
N-(3-aminobutyl)-2-(5-bromo-2-methoxyphenyl)acetamide
CID 119497012
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide
CID 43399003
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(5-bromo-2-methoxyphenyl)ethyl]urea
CID 3702454
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide (CID 110788017) is N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide is COc1ccc(Br)cc1CCNC(=O)C(C)C.
What is the InChIKey of N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide?
The InChIKey is IRXQJXNAYGAFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(2)13(16)15-7-6-10-8-11(14)4-5-12(10)17-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide?
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide has a molecular weight of 300.20 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 110788017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).