N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide

C16H16ClNO2 — CID 2195027

IUPACN-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-12-6-2-3-7-13(12)16(19)18-10-11-20-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyIGVJVPAOPZBZBU-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide

N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide (PubChem CID 2195027) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide
PubChem CID2195027
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-12-6-2-3-7-13(12)16(19)18-10-11-20-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyIGVJVPAOPZBZBU-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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

4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 2193355
(3-Chloro-4-fluorophenyl)-[4-[[2-(3-chlorophenoxy)ethylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 132256730
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-phenoxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256734
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(3-methylphenoxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132256749
(3-Chloro-4-fluorophenyl)-[4-[[2-(2-chlorophenoxy)ethylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 132256811
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132257061
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(2-fluorophenoxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132257139
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(3-fluorophenoxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 138692460
2-chloro-N-(2-phenoxyethyl)benzamide
CID 602767
2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 602768
4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2222949
N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 2222974

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide (CID 2195027) is N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCOc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide?
The InChIKey is IGVJVPAOPZBZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-12-6-2-3-7-13(12)16(19)18-10-11-20-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide?
N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide is sourced from PubChem (CID 2195027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).