3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide

C19H22BrNO3 — CID 17154780

IUPAC3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1Br
InChIInChI=1S/C19H22BrNO3/c1-4-10-23-18-9-8-14(11-17(18)20)19(22)21-15-6-5-7-16(12-15)24-13(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,21,22)
InChIKeyJOYQRUJLGNRNNC-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.28
Rot. Bonds7

About 3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide

3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide (PubChem CID 17154780) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide
PubChem CID17154780
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1Br
InChIInChI=1S/C19H22BrNO3/c1-4-10-23-18-9-8-14(11-17(18)20)19(22)21-15-6-5-7-16(12-15)24-13(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,21,22)
InChIKeyJOYQRUJLGNRNNC-UHFFFAOYSA-N
XLogP5.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide 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-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
3-bromo-N-(3-butoxyphenyl)-4-propan-2-yloxybenzamide
CID 17095128
3-bromo-4-(3-methylbutoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097335
3-bromo-4-(2-methoxyethoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154927
3-bromo-N-(3-methoxyphenyl)-4-(3-methylbutoxy)benzamide
CID 17339373
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
3-bromo-4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123597
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123630
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
3-bromo-4-hexoxy-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 17189252
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide (CID 17154780) is 3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1Br.
What is the InChIKey of 3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide?
The InChIKey is JOYQRUJLGNRNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-4-10-23-18-9-8-14(11-17(18)20)19(22)21-15-6-5-7-16(12-15)24-13(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,21,22).
What are the key properties of 3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide?
3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide has a molecular weight of 392.29 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide is sourced from PubChem (CID 17154780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).