5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide

C14H20FNO2 — CID 103919616

IUPAC5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCCCCCCO
InChIInChI=1S/C14H20FNO2/c1-11-6-7-12(15)10-13(11)14(18)16-8-4-2-3-5-9-17/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyCWJQQVQBZYDKPZ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.42
Rot. Bonds7

About 5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide

5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide (PubChem CID 103919616) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
PubChem CID103919616
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCCCCCCO
InChIInChI=1S/C14H20FNO2/c1-11-6-7-12(15)10-13(11)14(18)16-8-4-2-3-5-9-17/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyCWJQQVQBZYDKPZ-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.42
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

4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
CID 84594465
5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
CID 106843460
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
5-fluoro-2-methyl-N-pent-4-ynylbenzamide
CID 103708979
2,5-difluoro-N-undecylbenzamide
CID 91717430
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide (CID 103919616) is 5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCCCCCCO.
What is the InChIKey of 5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide?
The InChIKey is CWJQQVQBZYDKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11-6-7-12(15)10-13(11)14(18)16-8-4-2-3-5-9-17/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of 5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide?
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide is sourced from PubChem (CID 103919616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).