4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide

C20H23ClN2O3 — CID 8503681

IUPAC4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-4-23(5-2)20(25)15-7-9-16(10-8-15)22-19(24)13-26-18-12-14(3)6-11-17(18)21/h6-12H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyONQYLMIQLQKISH-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.15
Rot. Bonds7

About 4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide

4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 8503681) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
PubChem CID8503681
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-4-23(5-2)20(25)15-7-9-16(10-8-15)22-19(24)13-26-18-12-14(3)6-11-17(18)21/h6-12H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyONQYLMIQLQKISH-UHFFFAOYSA-N
XLogP4.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
2-(2-chloro-5-methylphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7642767
2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide
CID 7642831
2-(2-chloro-5-methylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 7917293
methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7570532
4-[[2-(2-iodo-5-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 71864680
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26531357
N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1047129
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide (CID 8503681) is 4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)COc2cc(C)ccc2Cl)cc1.
What is the InChIKey of 4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is ONQYLMIQLQKISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-4-23(5-2)20(25)15-7-9-16(10-8-15)22-19(24)13-26-18-12-14(3)6-11-17(18)21/h6-12H,4-5,13H2,1-3H3,(H,22,24).
What are the key properties of 4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 374.87 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 8503681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).