N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide

C18H15NO2 — CID 796808

IUPACN-[(2-hydroxynaphthalen-1-yl)methyl]benzamide
SMILESO=C(NCc1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H15NO2/c20-17-11-10-13-6-4-5-9-15(13)16(17)12-19-18(21)14-7-2-1-3-8-14/h1-11,20H,12H2,(H,19,21)
InChIKeyBTWZPFYRWQFDCW-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.48
Rot. Bonds3

About N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide

N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide (PubChem CID 796808) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methyl]benzamide
PubChem CID796808
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methyl]benzamide
SMILESO=C(NCc1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H15NO2/c20-17-11-10-13-6-4-5-9-15(13)16(17)12-19-18(21)14-7-2-1-3-8-14/h1-11,20H,12H2,(H,19,21)
InChIKeyBTWZPFYRWQFDCW-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-hydroxynaphthalen-1-yl)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

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide (CID 796808) is N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide is O=C(NCc1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The InChIKey is BTWZPFYRWQFDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-17-11-10-13-6-4-5-9-15(13)16(17)12-19-18(21)14-7-2-1-3-8-14/h1-11,20H,12H2,(H,19,21).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide?
N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide has a molecular weight of 277.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methyl]benzamide is sourced from PubChem (CID 796808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).