4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide

C14H19Cl2NO2 — CID 106253885

IUPAC4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
SMILESCCC(CC)(CCl)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H19Cl2NO2/c1-3-14(4-2,8-15)9-17-13(19)11-6-5-10(16)7-12(11)18/h5-7,18H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyWQCSLQGZNXVWJY-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.82
Rot. Bonds6

About 4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide

4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide (PubChem CID 106253885) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
PubChem CID106253885
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
SMILESCCC(CC)(CCl)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H19Cl2NO2/c1-3-14(4-2,8-15)9-17-13(19)11-6-5-10(16)7-12(11)18/h5-7,18H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyWQCSLQGZNXVWJY-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

4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide
CID 106254174
N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide
CID 114164499
4-chloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-hydroxybenzamide
CID 107867828
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
N-[2-(chloromethyl)-2-ethylbutyl]-4-hydroxybenzamide
CID 106253561
sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
CID 174574548
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide
CID 106255094
N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
CID 115279278
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide
CID 103844616
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide (CID 106253885) is 4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide is CCC(CC)(CCl)CNC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide?
The InChIKey is WQCSLQGZNXVWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-3-14(4-2,8-15)9-17-13(19)11-6-5-10(16)7-12(11)18/h5-7,18H,3-4,8-9H2,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide?
4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-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 4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide is sourced from PubChem (CID 106253885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).