2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide

C14H20FNO2 — CID 113351832

IUPAC2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCCCCO)c1F
InChIInChI=1S/C14H20FNO2/c1-11-7-6-8-12(13(11)15)14(18)16-9-4-2-3-5-10-17/h6-8,17H,2-5,9-10H2,1H3,(H,16,18)
InChIKeyNZIVAALWMDFVDY-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.42
Rot. Bonds7

About 2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide

2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide (PubChem CID 113351832) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
PubChem CID113351832
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCCCCO)c1F
InChIInChI=1S/C14H20FNO2/c1-11-7-6-8-12(13(11)15)14(18)16-9-4-2-3-5-10-17/h6-8,17H,2-5,9-10H2,1H3,(H,16,18)
InChIKeyNZIVAALWMDFVDY-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

N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
CID 103764860
2-bromo-3-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317884
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854
2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
CID 83210686
2,3-difluoro-N-pentylbenzamide
CID 62649821
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
2,3-dimethyl-N-octadecylbenzamide
CID 174462915

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide (CID 113351832) is 2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide is Cc1cccc(C(=O)NCCCCCCO)c1F.
What is the InChIKey of 2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide?
The InChIKey is NZIVAALWMDFVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11-7-6-8-12(13(11)15)14(18)16-9-4-2-3-5-10-17/h6-8,17H,2-5,9-10H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide?
2-fluoro-N-(6-hydroxyhexyl)-3-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 2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide is sourced from PubChem (CID 113351832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).