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

C17H18BrNO — CID 102851108

IUPAC4-(bromomethyl)-N-(2-propylphenyl)benzamide
SMILESCCCc1ccccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C17H18BrNO/c1-2-5-14-6-3-4-7-16(14)19-17(20)15-10-8-13(12-18)9-11-15/h3-4,6-11H,2,5,12H2,1H3,(H,19,20)
InChIKeyJHUUCEGZBMSUEW-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.79
Rot. Bonds5

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

4-(bromomethyl)-N-(2-propylphenyl)benzamide (PubChem CID 102851108) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-propylphenyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-propylphenyl)benzamide
PubChem CID102851108
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name4-(bromomethyl)-N-(2-propylphenyl)benzamide
SMILESCCCc1ccccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C17H18BrNO/c1-2-5-14-6-3-4-7-16(14)19-17(20)15-10-8-13(12-18)9-11-15/h3-4,6-11H,2,5,12H2,1H3,(H,19,20)
InChIKeyJHUUCEGZBMSUEW-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102904751
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
3,5-diacetamido-N-(2-propylphenyl)benzamide
CID 31869884
ethane;N-(2-propylphenyl)acetamide
CID 142804217
3-bromo-4-fluoro-N-(2-propylphenyl)benzamide
CID 103706788
4-hydroxy-3-methyl-N-(2-propylphenyl)benzamide
CID 103956497
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
3,4,5-trifluoro-N-(2-propylphenyl)benzamide
CID 63188626
3-amino-4-chloro-N-(2-propylphenyl)benzamide
CID 43703947
2-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 102850971
N-(2-propylphenyl)-3-sulfanylbenzamide
CID 107025770

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-propylphenyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(2-propylphenyl)benzamide (CID 102851108) is 4-(bromomethyl)-N-(2-propylphenyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-propylphenyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-propylphenyl)benzamide is CCCc1ccccc1NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2-propylphenyl)benzamide?
The InChIKey is JHUUCEGZBMSUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-2-5-14-6-3-4-7-16(14)19-17(20)15-10-8-13(12-18)9-11-15/h3-4,6-11H,2,5,12H2,1H3,(H,19,20).
What are the key properties of 4-(bromomethyl)-N-(2-propylphenyl)benzamide?
4-(bromomethyl)-N-(2-propylphenyl)benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-propylphenyl)benzamide is sourced from PubChem (CID 102851108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).