N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide

C14H20ClNO2 — CID 106168405

IUPACN-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
SMILESCCC(C)(CCCl)NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C14H20ClNO2/c1-4-14(3,7-8-15)16-13(18)11-9-10(2)5-6-12(11)17/h5-6,9,17H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyMGXVCKQRHWETGA-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.23
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide

N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide (PubChem CID 106168405) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
PubChem CID106168405
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
SMILESCCC(C)(CCCl)NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C14H20ClNO2/c1-4-14(3,7-8-15)16-13(18)11-9-10(2)5-6-12(11)17/h5-6,9,17H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyMGXVCKQRHWETGA-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.23
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-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106168602
N-(1-chloro-3-methylpentan-3-yl)-2,6-dihydroxybenzamide
CID 106168770
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 61119206
N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 106168140
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
N-(1-chloro-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153136
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 106863915
N-(1-bromo-3-methylpentan-3-yl)-2-chloro-4-methylbenzamide
CID 106169565
N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide
CID 106168756
N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide
CID 114164499

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide (CID 106168405) is N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide is CCC(C)(CCCl)NC(=O)c1cc(C)ccc1O.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide?
The InChIKey is MGXVCKQRHWETGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-14(3,7-8-15)16-13(18)11-9-10(2)5-6-12(11)17/h5-6,9,17H,4,7-8H2,1-3H3,(H,16,18).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide?
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 106168405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).