4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

C19H22BrNO3 — CID 19202702

IUPAC4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCOc1ccc(C)cc1NC(=O)CCCOc1ccc(C)cc1Br
InChIInChI=1S/C19H22BrNO3/c1-13-6-8-17(15(20)11-13)24-10-4-5-19(22)21-16-12-14(2)7-9-18(16)23-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyFLPFICAQVKEHIF-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.87
Rot. Bonds7

About 4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (PubChem CID 19202702) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
PubChem CID19202702
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCOc1ccc(C)cc1NC(=O)CCCOc1ccc(C)cc1Br
InChIInChI=1S/C19H22BrNO3/c1-13-6-8-17(15(20)11-13)24-10-4-5-19(22)21-16-12-14(2)7-9-18(16)23-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyFLPFICAQVKEHIF-UHFFFAOYSA-N
XLogP4.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide 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

4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 2684775
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 19201641
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
4-(2-bromo-4-methylphenoxy)-N-(4-iodophenyl)butanamide
CID 19202098
4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide
CID 19208062
N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191443
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 19201602
4-(2-bromo-4-methylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19202635

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (CID 19202702) is 4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is COc1ccc(C)cc1NC(=O)CCCOc1ccc(C)cc1Br.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The InChIKey is FLPFICAQVKEHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-13-6-8-17(15(20)11-13)24-10-4-5-19(22)21-16-12-14(2)7-9-18(16)23-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22).
What are the key properties of 4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide has a molecular weight of 392.29 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is sourced from PubChem (CID 19202702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).