2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide

C21H18ClNO2 — CID 2994239

IUPAC2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide
SMILESO=C(NCCOc1ccccc1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO2/c22-19-12-6-4-11-18(19)21(24)23-14-15-25-20-13-7-5-10-17(20)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,23,24)
InChIKeyXKTBRJCWGYOFPU-UHFFFAOYSA-N
MW351.83 g/mol
LogP4.82
Rot. Bonds6

About 2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide

2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide (PubChem CID 2994239) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide
PubChem CID2994239
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide
SMILESO=C(NCCOc1ccccc1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO2/c22-19-12-6-4-11-18(19)21(24)23-14-15-25-20-13-7-5-10-17(20)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,23,24)
InChIKeyXKTBRJCWGYOFPU-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174581
N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide
CID 52822289
2-chloro-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]benzamide
CID 74766924
2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
CID 51093613
2-chloro-N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111005736
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 60591826
N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 52876890
1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea
CID 111337309
2-chloro-6-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771931
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide (CID 2994239) is 2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide is O=C(NCCOc1ccccc1-c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide?
The InChIKey is XKTBRJCWGYOFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c22-19-12-6-4-11-18(19)21(24)23-14-15-25-20-13-7-5-10-17(20)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,23,24).
What are the key properties of 2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide?
2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide has a molecular weight of 351.83 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide is sourced from PubChem (CID 2994239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).