4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide

C15H14BrNO2 — CID 113241883

IUPAC4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccc(CBr)cc1
InChIInChI=1S/C15H14BrNO2/c16-9-11-5-7-12(8-6-11)15(19)17-10-13-3-1-2-4-14(13)18/h1-8,18H,9-10H2,(H,17,19)
InChIKeyJADXGRGFPCGPRD-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.22
Rot. Bonds4

About 4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide

4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide (PubChem CID 113241883) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
PubChem CID113241883
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccc(CBr)cc1
InChIInChI=1S/C15H14BrNO2/c16-9-11-5-7-12(8-6-11)15(19)17-10-13-3-1-2-4-14(13)18/h1-8,18H,9-10H2,(H,17,19)
InChIKeyJADXGRGFPCGPRD-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]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

4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598851
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 102851692
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
N-[(2,3-dihydroxyphenyl)methyl]benzamide
CID 143948328
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
CID 82110896
N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
CID 107233792
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115735463
4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide
CID 102851859
N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide (CID 113241883) is 4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccccc1O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide?
The InChIKey is JADXGRGFPCGPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-9-11-5-7-12(8-6-11)15(19)17-10-13-3-1-2-4-14(13)18/h1-8,18H,9-10H2,(H,17,19).
What are the key properties of 4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide?
4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 113241883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).