3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide

C17H26ClNO2 — CID 100546421

IUPAC3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide
SMILESCCCC[C@@H](CC)CNC(=O)c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C17H26ClNO2/c1-4-7-8-13(5-2)12-19-17(20)14-9-10-16(21-6-3)15(18)11-14/h9-11,13H,4-8,12H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyLPYICXCTFXEDRE-CYBMUJFWSA-N
MW311.85 g/mol
LogP4.68
Rot. Bonds9

About 3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide

3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide (PubChem CID 100546421) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide
PubChem CID100546421
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide
SMILESCCCC[C@@H](CC)CNC(=O)c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C17H26ClNO2/c1-4-7-8-13(5-2)12-19-17(20)14-9-10-16(21-6-3)15(18)11-14/h9-11,13H,4-8,12H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyLPYICXCTFXEDRE-CYBMUJFWSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide
CID 134016715
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
[2-chloro-5-[[(2R)-2-ethylhexyl]carbamoyl]phenyl]boronic acid
CID 99738113
5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide
CID 55026773
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
4-chloro-3-(dimethylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 55334750
2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
CID 9497344
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
N-[(2S)-2-ethylhexyl]-4-octoxybenzamide
CID 125462791
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
CID 2915932

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide (CID 100546421) is 3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide is CCCC[C@@H](CC)CNC(=O)c1ccc(OCC)c(Cl)c1.
What is the InChIKey of 3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide?
The InChIKey is LPYICXCTFXEDRE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-4-7-8-13(5-2)12-19-17(20)14-9-10-16(21-6-3)15(18)11-14/h9-11,13H,4-8,12H2,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide?
3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide has a molecular weight of 311.85 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide is sourced from PubChem (CID 100546421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).