4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide

C12H16FNO2 — CID 106841516

IUPAC4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCCCCO
InChIInChI=1S/C12H16FNO2/c1-9-8-10(13)4-5-11(9)12(16)14-6-2-3-7-15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyRZMQVGXQHXNVKD-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.64
Rot. Bonds5

About 4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide

4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide (PubChem CID 106841516) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
PubChem CID106841516
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCCCCO
InChIInChI=1S/C12H16FNO2/c1-9-8-10(13)4-5-11(9)12(16)14-6-2-3-7-15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyRZMQVGXQHXNVKD-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920099
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
CID 106843460
ethyl 4-[(4-fluoro-2-methylbenzoyl)amino]butanoate
CID 112702353
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-methylbenzamide
CID 114171292
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide
CID 112702497
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide?
The IUPAC name of 4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide (CID 106841516) is 4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NCCCCO.
What is the InChIKey of 4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide?
The InChIKey is RZMQVGXQHXNVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9-8-10(13)4-5-11(9)12(16)14-6-2-3-7-15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of 4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide?
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide has a molecular weight of 225.26 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide is sourced from PubChem (CID 106841516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).