N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide

C15H22ClNO2 — CID 106144803

IUPACN-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C15H22ClNO2/c1-11-12(6-4-7-13(11)18)14(19)17-10-15(2,3)8-5-9-16/h4,6-7,18H,5,8-10H2,1-3H3,(H,17,19)
InChIKeyRHCFIHBQBYIAPM-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.48
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide

N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide (PubChem CID 106144803) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
PubChem CID106144803
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC(C)(C)CCCCl
InChIInChI=1S/C15H22ClNO2/c1-11-12(6-4-7-13(11)18)14(19)17-10-15(2,3)8-5-9-16/h4,6-7,18H,5,8-10H2,1-3H3,(H,17,19)
InChIKeyRHCFIHBQBYIAPM-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.48
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-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899701
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
CID 114149605
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
CID 114149573
N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
CID 115868349
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
2-bromo-N-(5-chloro-2,2-dimethylpentyl)-5-methylbenzamide
CID 106144084
N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114149529
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide (CID 106144803) is N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCC(C)(C)CCCCl.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is RHCFIHBQBYIAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11-12(6-4-7-13(11)18)14(19)17-10-15(2,3)8-5-9-16/h4,6-7,18H,5,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide?
N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 106144803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).