4-(bromomethyl)-N-(2-propoxyphenyl)benzamide

C17H18BrNO2 — CID 102851101

IUPAC4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C17H18BrNO2/c1-2-11-21-16-6-4-3-5-15(16)19-17(20)14-9-7-13(12-18)8-10-14/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyJGBXHJBMHSJONB-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.62
Rot. Bonds6

About 4-(bromomethyl)-N-(2-propoxyphenyl)benzamide

4-(bromomethyl)-N-(2-propoxyphenyl)benzamide (PubChem CID 102851101) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
PubChem CID102851101
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C17H18BrNO2/c1-2-11-21-16-6-4-3-5-15(16)19-17(20)14-9-7-13(12-18)8-10-14/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyJGBXHJBMHSJONB-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-N-(2-propoxyphenyl)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

1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
CID 7941963
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide
CID 30236258
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102904751
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
3-bromo-N-[2-(3-phenylpropoxy)phenyl]-4-propoxybenzamide
CID 17131493
4-(butan-2-ylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 46575308
N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 26897998
methyl N-(2-propoxyphenyl)carbamate
CID 19872099

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-propoxyphenyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(2-propoxyphenyl)benzamide (CID 102851101) is 4-(bromomethyl)-N-(2-propoxyphenyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-propoxyphenyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-propoxyphenyl)benzamide is CCCOc1ccccc1NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2-propoxyphenyl)benzamide?
The InChIKey is JGBXHJBMHSJONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-2-11-21-16-6-4-3-5-15(16)19-17(20)14-9-7-13(12-18)8-10-14/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 4-(bromomethyl)-N-(2-propoxyphenyl)benzamide?
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-propoxyphenyl)benzamide is sourced from PubChem (CID 102851101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).