2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide

C17H16BrNO4 — CID 19578086

IUPAC2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
SMILESCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H16BrNO4/c1-11-3-5-13(6-4-11)19-16(21)10-23-17-14(18)7-12(9-20)8-15(17)22-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCSDFOWKONDUSNS-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.60
Rot. Bonds6

About 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide

2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide (PubChem CID 19578086) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
PubChem CID19578086
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
SMILESCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H16BrNO4/c1-11-3-5-13(6-4-11)19-16(21)10-23-17-14(18)7-12(9-20)8-15(17)22-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCSDFOWKONDUSNS-UHFFFAOYSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide 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

2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 21211286
2-[2-bromo-4-[(Z)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 40596478
2-[2-bromo-4-(hydroxyiminomethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 57365553
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 1008844
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
2-(3-bromo-2-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 66529290
N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913369
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)acetamide
CID 17201814
N-[(E)-[3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126307211
2-[2-bromo-6-methoxy-4-[(2,4,6-trioxo-1,3-diphenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126223740
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539260
N-[(E)-[3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126315454

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide (CID 19578086) is 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide is COc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide?
The InChIKey is CSDFOWKONDUSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-11-3-5-13(6-4-11)19-16(21)10-23-17-14(18)7-12(9-20)8-15(17)22-2/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide?
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide has a molecular weight of 378.22 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 19578086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).