3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide

C18H19BrN2O3 — CID 54790791

IUPAC3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-24-11-3-10-20-17(22)13-6-8-16(9-7-13)21-18(23)14-4-2-5-15(19)12-14/h2,4-9,12H,3,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyLZCSSWFAJRQYHJ-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.47
Rot. Bonds7

About 3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide

3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide (PubChem CID 54790791) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
PubChem CID54790791
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-24-11-3-10-20-17(22)13-6-8-16(9-7-13)21-18(23)14-4-2-5-15(19)12-14/h2,4-9,12H,3,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyLZCSSWFAJRQYHJ-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]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

N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121
3-bromo-N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 54791485
3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199
3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052772
3-[(4-bromobenzoyl)carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 54791466
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052615
3-bromo-N-[2-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 110975352
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 17204993
3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17219011
3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 26160147

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide (CID 54790791) is 3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide is COCCCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide?
The InChIKey is LZCSSWFAJRQYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-24-11-3-10-20-17(22)13-6-8-16(9-7-13)21-18(23)14-4-2-5-15(19)12-14/h2,4-9,12H,3,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide?
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide has a molecular weight of 391.27 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 54790791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).