2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide

C12H15Cl2NO2 — CID 106503133

IUPAC2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
SMILESCCC(C)(CCl)NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-3-12(2,7-13)15-11(17)9-6-8(16)4-5-10(9)14/h4-6,16H,3,7H2,1-2H3,(H,15,17)
InChIKeyMZYLOSIENCIRHG-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.18
Rot. Bonds4

About 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide

2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide (PubChem CID 106503133) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
PubChem CID106503133
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
SMILESCCC(C)(CCl)NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-3-12(2,7-13)15-11(17)9-6-8(16)4-5-10(9)14/h4-6,16H,3,7H2,1-2H3,(H,15,17)
InChIKeyMZYLOSIENCIRHG-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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

2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 106863915
N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 114303621
2-chloro-N-(4-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503218
3-[(2-chloro-5-hydroxybenzoyl)amino]-3-ethylpentanoic acid
CID 138029072
4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide
CID 103863806
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide
CID 114314430
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256
N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide
CID 103212403
2-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 106173291

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide (CID 106503133) is 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide is CCC(C)(CCl)NC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide?
The InChIKey is MZYLOSIENCIRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-3-12(2,7-13)15-11(17)9-6-8(16)4-5-10(9)14/h4-6,16H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide?
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide has a molecular weight of 276.16 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide is sourced from PubChem (CID 106503133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).