3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide

C17H18ClNO2 — CID 43695560

IUPAC3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide
SMILESCCOCc1ccccc1NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C17H18ClNO2/c1-2-21-12-15-7-3-4-9-16(15)19-17(20)14-8-5-6-13(10-14)11-18/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyIPLONBGISKBMMD-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.21
Rot. Bonds6

About 3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide

3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide (PubChem CID 43695560) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide
PubChem CID43695560
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide
SMILESCCOCc1ccccc1NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C17H18ClNO2/c1-2-21-12-15-7-3-4-9-16(15)19-17(20)14-8-5-6-13(10-14)11-18/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyIPLONBGISKBMMD-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.21
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

N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945
3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide
CID 43695797
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542
N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
CID 114298485
N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide
CID 114298463
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
N-[2-(ethoxymethyl)phenyl]-2,4-dimethylbenzamide
CID 86821681
N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 47361062
4-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298246

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide (CID 43695560) is 3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide is CCOCc1ccccc1NC(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide?
The InChIKey is IPLONBGISKBMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-21-12-15-7-3-4-9-16(15)19-17(20)14-8-5-6-13(10-14)11-18/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide?
3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide has a molecular weight of 303.79 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide is sourced from PubChem (CID 43695560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).