3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide

C16H16ClNO2 — CID 43333393

IUPAC3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(CCl)c1
InChIInChI=1S/C16H16ClNO2/c1-20-15-8-3-2-6-14(15)11-18-16(19)13-7-4-5-12(9-13)10-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyJTYPMOITKNBUMU-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.36
Rot. Bonds5

About 3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide

3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 43333393) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID43333393
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(CCl)c1
InChIInChI=1S/C16H16ClNO2/c1-20-15-8-3-2-6-14(15)11-18-16(19)13-7-4-5-12(9-13)10-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyJTYPMOITKNBUMU-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
N-ethyl-3-[[[ethylamino-[(2-methoxyphenyl)methylamino]methylidene]amino]methyl]benzamide
CID 111216771
3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054817
3-(ethylsulfonylamino)-N-[(2-methoxyphenyl)methyl]benzamide
CID 25348432
3-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111218012
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide (CID 43333393) is 3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is JTYPMOITKNBUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-15-8-3-2-6-14(15)11-18-16(19)13-7-4-5-12(9-13)10-17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide?
3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 43333393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).