N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide

C15H22ClNO2 — CID 114164499

IUPACN-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide
SMILESCCC(CC)(CCl)CNC(=O)c1cc(C)ccc1O
InChIInChI=1S/C15H22ClNO2/c1-4-15(5-2,9-16)10-17-14(19)12-8-11(3)6-7-13(12)18/h6-8,18H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyOVIZHKCDWPBTSY-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide

N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide (PubChem CID 114164499) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide
PubChem CID114164499
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide
SMILESCCC(CC)(CCl)CNC(=O)c1cc(C)ccc1O
InChIInChI=1S/C15H22ClNO2/c1-4-15(5-2,9-16)10-17-14(19)12-8-11(3)6-7-13(12)18/h6-8,18H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyOVIZHKCDWPBTSY-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

4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
CID 106253885
N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide
CID 103712019
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide
CID 106254174
N-[2-(chloromethyl)-2-ethylbutyl]-4-hydroxybenzamide
CID 106253561
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide
CID 103843624
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 106168405
2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
CID 55100965
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 27646537
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide
CID 113294792
N-[2-(chloromethyl)-2-ethylbutyl]-3,4,5-trifluorobenzamide
CID 106253344

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide (CID 114164499) is N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide is CCC(CC)(CCl)CNC(=O)c1cc(C)ccc1O.
What is the InChIKey of N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is OVIZHKCDWPBTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-15(5-2,9-16)10-17-14(19)12-8-11(3)6-7-13(12)18/h6-8,18H,4-5,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide?
N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-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-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 114164499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).