4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

C16H16BrNO2 — CID 107216600

IUPAC4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(CBr)cc1
InChIInChI=1S/C16H16BrNO2/c17-9-12-4-6-15(7-5-12)16(20)18-10-13-2-1-3-14(8-13)11-19/h1-8,19H,9-11H2,(H,18,20)
InChIKeyRHWSPOJLTHMWRU-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.00
Rot. Bonds5

About 4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 107216600) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID107216600
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(CBr)cc1
InChIInChI=1S/C16H16BrNO2/c17-9-12-4-6-15(7-5-12)16(20)18-10-13-2-1-3-14(8-13)11-19/h1-8,19H,9-11H2,(H,18,20)
InChIKeyRHWSPOJLTHMWRU-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 81002022
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide
CID 114313062
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 100695919
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
CID 115663338

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (CID 107216600) is 4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(CO)c1)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is RHWSPOJLTHMWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-9-12-4-6-15(7-5-12)16(20)18-10-13-2-1-3-14(8-13)11-19/h1-8,19H,9-11H2,(H,18,20).
What are the key properties of 4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 107216600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).