3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide

C14H19Cl2NO2 — CID 106287730

IUPAC3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide
SMILESCCC(CC)C(Cl)CNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO2/c1-3-9(4-2)12(16)8-17-14(19)10-5-6-13(18)11(15)7-10/h5-7,9,12,18H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyXFSOYBRQIQKONY-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.82
Rot. Bonds6

About 3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide

3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide (PubChem CID 106287730) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide
PubChem CID106287730
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide
SMILESCCC(CC)C(Cl)CNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO2/c1-3-9(4-2)12(16)8-17-14(19)10-5-6-13(18)11(15)7-10/h5-7,9,12,18H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyXFSOYBRQIQKONY-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide
CID 114168739
3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
CID 114306044
5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
CID 106287321
4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide
CID 106287678
N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide
CID 106287191
N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide
CID 106287256
3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide
CID 47441341
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
3-chloro-4-hydroxybenzohydrazide
CID 10954268
N-(2-chloro-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 106287114
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 103686182

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide (CID 106287730) is 3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide is CCC(CC)C(Cl)CNC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide?
The InChIKey is XFSOYBRQIQKONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-3-9(4-2)12(16)8-17-14(19)10-5-6-13(18)11(15)7-10/h5-7,9,12,18H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of 3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide?
3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide has a molecular weight of 304.22 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide is sourced from PubChem (CID 106287730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).