3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide

C19H22ClNO3 — CID 13387018

IUPAC3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(OCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO3/c1-3-21(4-2)19(22)15-6-5-7-18(14-15)24-13-12-23-17-10-8-16(20)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyVKOOSKBOSQGZSI-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.28
Rot. Bonds8

About 3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide

3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide (PubChem CID 13387018) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide
PubChem CID13387018
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(OCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO3/c1-3-21(4-2)19(22)15-6-5-7-18(14-15)24-13-12-23-17-10-8-16(20)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyVKOOSKBOSQGZSI-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
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-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide
CID 60566746
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 55996557
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
methyl 3-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 8806513
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 17426138
3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
CID 112970926
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide
CID 62921386
N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide
CID 62919665
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide?
The IUPAC name of 3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide (CID 13387018) is 3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide?
The canonical SMILES for 3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(OCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide?
The InChIKey is VKOOSKBOSQGZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-21(4-2)19(22)15-6-5-7-18(14-15)24-13-12-23-17-10-8-16(20)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3.
What are the key properties of 3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide?
3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide has a molecular weight of 347.84 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide is sourced from PubChem (CID 13387018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).