4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide

C13H18FNO2 — CID 107317159

IUPAC4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCCCO)ccc1F
InChIInChI=1S/C13H18FNO2/c1-10-9-11(5-6-12(10)14)13(17)15-7-3-2-4-8-16/h5-6,9,16H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyGAWURNUVDZTZQK-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.03
Rot. Bonds6

About 4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide

4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide (PubChem CID 107317159) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
PubChem CID107317159
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCCCO)ccc1F
InChIInChI=1S/C13H18FNO2/c1-10-9-11(5-6-12(10)14)13(17)15-7-3-2-4-8-16/h5-6,9,16H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyGAWURNUVDZTZQK-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.03
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

N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
CID 113412198
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 103919086
4-fluoro-N-(6-hydroxyhexyl)-3-sulfanylbenzamide
CID 114009456
3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
CID 107317891
N-(4-amino-4-sulfanylidenebutyl)-4-fluoro-3-methylbenzamide
CID 63210296
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide (CID 107317159) is 4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide is Cc1cc(C(=O)NCCCCCO)ccc1F.
What is the InChIKey of 4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide?
The InChIKey is GAWURNUVDZTZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10-9-11(5-6-12(10)14)13(17)15-7-3-2-4-8-16/h5-6,9,16H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of 4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide?
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide has a molecular weight of 239.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide is sourced from PubChem (CID 107317159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).