2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide

C17H17ClN2O3 — CID 26676807

IUPAC2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCOc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c18-15-9-5-4-8-14(15)17(22)20-12-16(21)19-10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyHANREBVHOGIFGL-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.27
Rot. Bonds7

About 2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide

2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide (PubChem CID 26676807) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
PubChem CID26676807
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCOc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c18-15-9-5-4-8-14(15)17(22)20-12-16(21)19-10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyHANREBVHOGIFGL-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 32933927
2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide
CID 42572414
2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79468883
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
2-chloro-N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111005736
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide
CID 43392696
2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 26976720
2-chloro-N-[2-[[N'-methyl-N-(3-phenoxypropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111417417
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide (CID 26676807) is 2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NCCOc1ccccc1.
What is the InChIKey of 2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide?
The InChIKey is HANREBVHOGIFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-15-9-5-4-8-14(15)17(22)20-12-16(21)19-10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide?
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide is sourced from PubChem (CID 26676807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).