N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide

C19H22ClNO3 — CID 60566746

IUPACN-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cccc(OCCOC)c1
InChIInChI=1S/C19H22ClNO3/c1-3-21(14-16-7-4-5-10-18(16)20)19(22)15-8-6-9-17(13-15)24-12-11-23-2/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyOQXHRESTXRITAS-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.03
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide

N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide (PubChem CID 60566746) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide
PubChem CID60566746
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cccc(OCCOC)c1
InChIInChI=1S/C19H22ClNO3/c1-3-21(14-16-7-4-5-10-18(16)20)19(22)15-8-6-9-17(13-15)24-12-11-23-2/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyOQXHRESTXRITAS-UHFFFAOYSA-N
XLogP4.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102
3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide
CID 13387018
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 55996557
N-[(2-chlorophenyl)methyl]-N-ethyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55593512
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
CID 107074472
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119723037
N-[(2-chlorophenyl)methyl]-N-ethyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103612417
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955234
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55594429

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide (CID 60566746) is N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide is CCN(Cc1ccccc1Cl)C(=O)c1cccc(OCCOC)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide?
The InChIKey is OQXHRESTXRITAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-21(14-16-7-4-5-10-18(16)20)19(22)15-8-6-9-17(13-15)24-12-11-23-2/h4-10,13H,3,11-12,14H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide?
N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide has a molecular weight of 347.84 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 60566746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).