N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide

C11H13BrClNO2 — CID 115162399

IUPACN-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)CCCl
InChIInChI=1S/C11H13BrClNO2/c1-14(11(15)5-6-13)9-7-8(12)3-4-10(9)16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyQRAONBGZCULLHI-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.05
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide

N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide (PubChem CID 115162399) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide
PubChem CID115162399
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)CCCl
InChIInChI=1S/C11H13BrClNO2/c1-14(11(15)5-6-13)9-7-8(12)3-4-10(9)16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyQRAONBGZCULLHI-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(5-bromo-2-methoxyphenyl)-3-chloro-N-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

N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167730
3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide
CID 115162379
2-amino-N-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 82502070
N-(5-bromo-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193399
1-(5-bromo-2-methoxyphenyl)-3-chloropropan-1-one
CID 82050030
N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 115166038
N-(5-bromo-2-methoxyphenyl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186443
2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179710
3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide
CID 115153548
3-(5-bromo-2-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163982
4-(5-bromo-2-methoxy-N-methylanilino)butanoic acid
CID 115218519
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182600

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide (CID 115162399) is N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide is COc1ccc(Br)cc1N(C)C(=O)CCCl.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide?
The InChIKey is QRAONBGZCULLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-14(11(15)5-6-13)9-7-8(12)3-4-10(9)16-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide?
N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide has a molecular weight of 306.59 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide is sourced from PubChem (CID 115162399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).