3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide

C18H20BrNO2 — CID 17342692

IUPAC3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1Br
InChIInChI=1S/C18H20BrNO2/c1-4-9-22-17-8-7-14(11-15(17)19)18(21)20-16-10-12(2)5-6-13(16)3/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)
InChIKeyLLWQUISLJWPIDL-UHFFFAOYSA-N
MW362.27 g/mol
LogP5.11
Rot. Bonds5

About 3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide

3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide (PubChem CID 17342692) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
PubChem CID17342692
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1Br
InChIInChI=1S/C18H20BrNO2/c1-4-9-22-17-8-7-14(11-15(17)19)18(21)20-16-10-12(2)5-6-13(16)3/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)
InChIKeyLLWQUISLJWPIDL-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.27
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(2,5-dimethylphenyl)-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-N-(2,5-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355192
3-bromo-4-propoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 17342734
2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 54793163
3-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 46760614
N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide
CID 120569287
3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
CID 17342647
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide (CID 17342692) is 3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1Br.
What is the InChIKey of 3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide?
The InChIKey is LLWQUISLJWPIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-4-9-22-17-8-7-14(11-15(17)19)18(21)20-16-10-12(2)5-6-13(16)3/h5-8,10-11H,4,9H2,1-3H3,(H,20,21).
What are the key properties of 3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide?
3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide has a molecular weight of 362.27 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide is sourced from PubChem (CID 17342692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).