N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide

C12H16ClNO2 — CID 107673272

IUPACN-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCCCCCl
InChIInChI=1S/C12H16ClNO2/c1-9-8-10(15)4-5-11(9)12(16)14-7-3-2-6-13/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyFWOUBFHMEUKDMZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.45
Rot. Bonds5

About N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide

N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide (PubChem CID 107673272) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
PubChem CID107673272
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCCCCCl
InChIInChI=1S/C12H16ClNO2/c1-9-8-10(15)4-5-11(9)12(16)14-7-3-2-6-13/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyFWOUBFHMEUKDMZ-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261
N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865446
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454
5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 107670917
4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103863566
N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide
CID 106845248
5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142
4-hydroxy-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103865108
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
3-chloro-N-(5-chloropentyl)-4-methylbenzamide
CID 107321227

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide (CID 107673272) is N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCCCCCl.
What is the InChIKey of N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is FWOUBFHMEUKDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9-8-10(15)4-5-11(9)12(16)14-7-3-2-6-13/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide?
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107673272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).