3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide

C21H19ClN2O3 — CID 26000335

IUPAC3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C21H19ClN2O3/c1-2-23-21(26)14-6-5-7-15(12-14)24-20(25)13-27-19-11-10-18(22)16-8-3-4-9-17(16)19/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25)
InChIKeySPVKAZZMGLGAFR-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.26
Rot. Bonds6

About 3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide

3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide (PubChem CID 26000335) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide
PubChem CID26000335
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C21H19ClN2O3/c1-2-23-21(26)14-6-5-7-15(12-14)24-20(25)13-27-19-11-10-18(22)16-8-3-4-9-17(16)19/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25)
InChIKeySPVKAZZMGLGAFR-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 26051759
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230760
N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651
4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide
CID 9230997
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230877
methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate
CID 55561380
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 28638799
2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7916182
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
2-(4-chloronaphthalen-1-yl)oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7916235

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide (CID 26000335) is 3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)COc2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of 3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide?
The InChIKey is SPVKAZZMGLGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-2-23-21(26)14-6-5-7-15(12-14)24-20(25)13-27-19-11-10-18(22)16-8-3-4-9-17(16)19/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide?
3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide has a molecular weight of 382.85 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 26000335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).