3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide

C20H24BrNO2 — CID 4959421

IUPAC3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(C)c2)cc1Br
InChIInChI=1S/C20H24BrNO2/c1-3-4-5-6-12-24-19-11-10-16(14-18(19)21)20(23)22-17-9-7-8-15(2)13-17/h7-11,13-14H,3-6,12H2,1-2H3,(H,22,23)
InChIKeyFPNNGXPOJDZNIQ-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.97
Rot. Bonds8

About 3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide

3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide (PubChem CID 4959421) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide
PubChem CID4959421
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(C)c2)cc1Br
InChIInChI=1S/C20H24BrNO2/c1-3-4-5-6-12-24-19-11-10-16(14-18(19)21)20(23)22-17-9-7-8-15(2)13-17/h7-11,13-14H,3-6,12H2,1-2H3,(H,22,23)
InChIKeyFPNNGXPOJDZNIQ-UHFFFAOYSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide 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

3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-hexoxybenzamide
CID 17204617
3-bromo-4-hexoxy-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 17189252
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17231880
3-bromo-4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123597
3-bromo-4-hexoxy-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide
CID 17252572
3-bromo-N-(2,6-dimethylphenyl)-4-hexoxybenzamide
CID 4959519
3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide
CID 26160564
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
methyl 4-[(3-bromo-4-hexoxybenzoyl)amino]benzoate
CID 4959481
3-bromo-4-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642675
3-bromo-4-butoxy-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide
CID 17252567
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide (CID 4959421) is 3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide is CCCCCCOc1ccc(C(=O)Nc2cccc(C)c2)cc1Br.
What is the InChIKey of 3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide?
The InChIKey is FPNNGXPOJDZNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-3-4-5-6-12-24-19-11-10-16(14-18(19)21)20(23)22-17-9-7-8-15(2)13-17/h7-11,13-14H,3-6,12H2,1-2H3,(H,22,23).
What are the key properties of 3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide?
3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide has a molecular weight of 390.32 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 4959421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).