2-chloro-N-(2-phenoxyethyl)benzamide

C15H14ClNO2 — CID 602767

IUPAC2-chloro-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyPJFLHVNVGIBCBQ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.15
Rot. Bonds5

About 2-chloro-N-(2-phenoxyethyl)benzamide

2-chloro-N-(2-phenoxyethyl)benzamide (PubChem CID 602767) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenoxyethyl)benzamide
PubChem CID602767
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-chloro-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyPJFLHVNVGIBCBQ-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-phenoxyethyl)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 2-chloro-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-chloro-N-(2-phenoxyethyl)benzamide (CID 602767) is 2-chloro-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-phenoxyethyl)benzamide is O=C(NCCOc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-phenoxyethyl)benzamide?
The InChIKey is PJFLHVNVGIBCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-chloro-N-(2-phenoxyethyl)benzamide?
2-chloro-N-(2-phenoxyethyl)benzamide has a molecular weight of 275.74 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 602767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).