N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide

C14H20ClNO3 — CID 114149304

IUPACN-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(C)CCCl)c1O
InChIInChI=1S/C14H20ClNO3/c1-14(2,7-8-15)9-16-13(18)10-5-4-6-11(19-3)12(10)17/h4-6,17H,7-9H2,1-3H3,(H,16,18)
InChIKeyWORKOYLIACBECD-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.79
Rot. Bonds6

About N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide

N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide (PubChem CID 114149304) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide
PubChem CID114149304
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(C)CCCl)c1O
InChIInChI=1S/C14H20ClNO3/c1-14(2,7-8-15)9-16-13(18)10-5-4-6-11(19-3)12(10)17/h4-6,17H,7-9H2,1-3H3,(H,16,18)
InChIKeyWORKOYLIACBECD-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 106142634
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
CID 106142770
N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
CID 106144803
N-[(4-chlorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 11748334
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide (CID 114149304) is N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)NCC(C)(C)CCCl)c1O.
What is the InChIKey of N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is WORKOYLIACBECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-14(2,7-8-15)9-16-13(18)10-5-4-6-11(19-3)12(10)17/h4-6,17H,7-9H2,1-3H3,(H,16,18).
What are the key properties of N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide?
N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 114149304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).