N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide

C15H14INO2 — CID 47290646

IUPACN-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
SMILESCN(Cc1ccccc1O)C(=O)c1cccc(I)c1
InChIInChI=1S/C15H14INO2/c1-17(10-12-5-2-3-8-14(12)18)15(19)11-6-4-7-13(16)9-11/h2-9,18H,10H2,1H3
InChIKeyUMBNCCUPBHDXDX-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.27
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide

N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide (PubChem CID 47290646) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
PubChem CID47290646
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC NameN-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
SMILESCN(Cc1ccccc1O)C(=O)c1cccc(I)c1
InChIInChI=1S/C15H14INO2/c1-17(10-12-5-2-3-8-14(12)18)15(19)11-6-4-7-13(16)9-11/h2-9,18H,10H2,1H3
InChIKeyUMBNCCUPBHDXDX-UHFFFAOYSA-N
XLogP3.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 54906216
N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 61026834
3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 60631085
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
CID 60628796
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
CID 60923258
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972299
3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 60978582
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide (CID 47290646) is N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide is CN(Cc1ccccc1O)C(=O)c1cccc(I)c1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide?
The InChIKey is UMBNCCUPBHDXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/c1-17(10-12-5-2-3-8-14(12)18)15(19)11-6-4-7-13(16)9-11/h2-9,18H,10H2,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide?
N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide has a molecular weight of 367.19 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide is sourced from PubChem (CID 47290646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).