N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide

C17H17ClN2O3 — CID 27861644

IUPACN-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c18-14-6-8-15(9-7-14)23-11-10-19-16(21)12-20-17(22)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyHIGRXKJURAXVDC-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide

N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide (PubChem CID 27861644) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
PubChem CID27861644
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c18-14-6-8-15(9-7-14)23-11-10-19-16(21)12-20-17(22)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyHIGRXKJURAXVDC-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

4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 78801175
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 113099511
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide (CID 27861644) is N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is HIGRXKJURAXVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-14-6-8-15(9-7-14)23-11-10-19-16(21)12-20-17(22)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide?
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]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 N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 27861644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).