4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide

C12H15Cl2NO2 — CID 115364597

IUPAC4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
SMILESCC(C)(CCl)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H15Cl2NO2/c1-12(2,6-13)7-15-11(17)9-4-3-8(14)5-10(9)16/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyGDNWICJJAPOAGY-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.04
Rot. Bonds4

About 4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide

4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide (PubChem CID 115364597) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
PubChem CID115364597
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
SMILESCC(C)(CCl)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H15Cl2NO2/c1-12(2,6-13)7-15-11(17)9-4-3-8(14)5-10(9)16/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyGDNWICJJAPOAGY-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.04
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-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
CID 106253885
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
CID 115279278
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
4-chloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-hydroxybenzamide
CID 107867828
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide (CID 115364597) is 4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide is CC(C)(CCl)CNC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide?
The InChIKey is GDNWICJJAPOAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-12(2,6-13)7-15-11(17)9-4-3-8(14)5-10(9)16/h3-5,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide?
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide has a molecular weight of 276.16 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide is sourced from PubChem (CID 115364597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).