N-[(2-chlorophenyl)-ethoxymethyl]benzamide

C16H16ClNO2 — CID 134966807

IUPACN-[(2-chlorophenyl)-ethoxymethyl]benzamide
SMILESCCOC(NC(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-2-20-16(13-10-6-7-11-14(13)17)18-15(19)12-8-4-3-5-9-12/h3-11,16H,2H2,1H3,(H,18,19)
InChIKeyOOMGATGISBCZAT-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.81
Rot. Bonds5

About N-[(2-chlorophenyl)-ethoxymethyl]benzamide

N-[(2-chlorophenyl)-ethoxymethyl]benzamide (PubChem CID 134966807) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-ethoxymethyl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-ethoxymethyl]benzamide
PubChem CID134966807
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[(2-chlorophenyl)-ethoxymethyl]benzamide
SMILESCCOC(NC(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-2-20-16(13-10-6-7-11-14(13)17)18-15(19)12-8-4-3-5-9-12/h3-11,16H,2H2,1H3,(H,18,19)
InChIKeyOOMGATGISBCZAT-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-ethoxymethyl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)-ethoxymethyl]benzamide (CID 134966807) is N-[(2-chlorophenyl)-ethoxymethyl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)-ethoxymethyl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)-ethoxymethyl]benzamide is CCOC(NC(=O)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)-ethoxymethyl]benzamide?
The InChIKey is OOMGATGISBCZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-20-16(13-10-6-7-11-14(13)17)18-15(19)12-8-4-3-5-9-12/h3-11,16H,2H2,1H3,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)-ethoxymethyl]benzamide?
N-[(2-chlorophenyl)-ethoxymethyl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-ethoxymethyl]benzamide is sourced from PubChem (CID 134966807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).