N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide

C13H18ClNO3 — CID 114303621

IUPACN-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
SMILESCCC(C)(CCl)NC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C13H18ClNO3/c1-4-13(2,8-14)15-12(17)10-6-5-9(18-3)7-11(10)16/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyADEVBWUBLADOMP-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.54
Rot. Bonds5

About N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide

N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide (PubChem CID 114303621) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
PubChem CID114303621
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
SMILESCCC(C)(CCl)NC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C13H18ClNO3/c1-4-13(2,8-14)15-12(17)10-6-5-9(18-3)7-11(10)16/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyADEVBWUBLADOMP-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.54
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-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106168602
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503133
N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61120396
N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 106168512
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181
N-(1-amino-2,4-dimethylpentan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 115309726
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-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide
CID 103844616
N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 113273131
N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 65041292
N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 114303689

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide (CID 114303621) is N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide is CCC(C)(CCl)NC(=O)c1ccc(OC)cc1O.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is ADEVBWUBLADOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-4-13(2,8-14)15-12(17)10-6-5-9(18-3)7-11(10)16/h5-7,16H,4,8H2,1-3H3,(H,15,17).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide?
N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 271.74 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114303621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).