5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide

C13H18ClNO2 — CID 115613546

IUPAC5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
SMILESCCC(CC)CNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H18ClNO2/c1-3-9(4-2)8-15-13(17)11-7-10(14)5-6-12(11)16/h5-7,9,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyWAEGTCIZZSQJJM-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.21
Rot. Bonds5

About 5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide

5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide (PubChem CID 115613546) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
PubChem CID115613546
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
SMILESCCC(CC)CNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H18ClNO2/c1-3-9(4-2)8-15-13(17)11-7-10(14)5-6-12(11)16/h5-7,9,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyWAEGTCIZZSQJJM-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2-ethylhexyl)-2-hydroxybenzamide
CID 14692803
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
5-chloro-N-(2-cyclopropylpropyl)-2-hydroxybenzamide
CID 115591206
5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
CID 113254459
5-chloro-2-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 49167744
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
CID 15858288
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
CID 114617404

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide (CID 115613546) is 5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide is CCC(CC)CNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide?
The InChIKey is WAEGTCIZZSQJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-9(4-2)8-15-13(17)11-7-10(14)5-6-12(11)16/h5-7,9,16H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide?
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide has a molecular weight of 255.74 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide is sourced from PubChem (CID 115613546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).