N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide

C12H15BrClNO2 — CID 103020720

IUPACN-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H15BrClNO2/c1-12(2,17-3)7-11(16)15-10-6-8(14)4-5-9(10)13/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyZLCPJTBIPSQYGS-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.86
Rot. Bonds4

About N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide

N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide (PubChem CID 103020720) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
PubChem CID103020720
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC NameN-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H15BrClNO2/c1-12(2,17-3)7-11(16)15-10-6-8(14)4-5-9(10)13/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyZLCPJTBIPSQYGS-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide 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

N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
4-chloro-2-[(3-methoxy-3-methylbutanoyl)amino]benzoic acid
CID 103018039
N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 107143639
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-methoxy-3-methylbutanamide
CID 103021993
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
4-[(2-bromo-5-chlorophenyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 81279958
N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
CID 103022178
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
methyl 3-(2-bromo-5-chloroanilino)-2-hydroxy-2-methylpropanoate
CID 104644795
2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide
CID 81281028
2-hydroxyethyl N-(2-bromo-5-chlorophenyl)carbamate
CID 81272508
5-(2-bromo-5-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 81264315

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide (CID 103020720) is N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide?
The InChIKey is ZLCPJTBIPSQYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-12(2,17-3)7-11(16)15-10-6-8(14)4-5-9(10)13/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide?
N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide has a molecular weight of 320.61 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103020720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).