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

C12H15Cl2NO2 — CID 114306044

IUPAC3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
SMILESCC(CCCl)CNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-8(4-5-13)7-15-12(17)9-2-3-11(16)10(14)6-9/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyVITKOXXHFMVONL-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.04
Rot. Bonds5

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

3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide (PubChem CID 114306044) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
PubChem CID114306044
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
SMILESCC(CCCl)CNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-8(4-5-13)7-15-12(17)9-2-3-11(16)10(14)6-9/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyVITKOXXHFMVONL-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

3-chloro-N-(4-chloro-2-methylbutyl)-4-iodobenzamide
CID 103212434
3-bromo-N-(4-chloro-2-methylbutyl)-4-methylbenzamide
CID 114306190
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide
CID 106287730
N-(4-chloro-2-methylbutyl)-3-iodobenzamide
CID 114306257
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673039
N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide
CID 115299603
N-(4-chloro-2-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106754217
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide (CID 114306044) is 3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide is CC(CCCl)CNC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide?
The InChIKey is VITKOXXHFMVONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-8(4-5-13)7-15-12(17)9-2-3-11(16)10(14)6-9/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide?
3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide has a molecular weight of 276.16 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide is sourced from PubChem (CID 114306044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).