N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide

C14H16FNO2 — CID 113304561

IUPACN-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
SMILESO=C(NCC1CC=CCC1)c1ccc(F)cc1O
InChIInChI=1S/C14H16FNO2/c15-11-6-7-12(13(17)8-11)14(18)16-9-10-4-2-1-3-5-10/h1-2,6-8,10,17H,3-5,9H2,(H,16,18)
InChIKeyBSTHGRKXFJMFPL-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.62
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide

N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide (PubChem CID 113304561) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
PubChem CID113304561
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
SMILESO=C(NCC1CC=CCC1)c1ccc(F)cc1O
InChIInChI=1S/C14H16FNO2/c15-11-6-7-12(13(17)8-11)14(18)16-9-10-4-2-1-3-5-10/h1-2,6-8,10,17H,3-5,9H2,(H,16,18)
InChIKeyBSTHGRKXFJMFPL-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
CID 113227469
N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381100
2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 47436865
N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107016888
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
N-(3-cyclopentylpropyl)-4-fluoro-2-hydroxybenzamide
CID 106011705
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide
CID 102705456
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
4-fluoro-2-hydroxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103829910
4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 102851555
N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide
CID 63108480

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide (CID 113304561) is N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide is O=C(NCC1CC=CCC1)c1ccc(F)cc1O.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is BSTHGRKXFJMFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-11-6-7-12(13(17)8-11)14(18)16-9-10-4-2-1-3-5-10/h1-2,6-8,10,17H,3-5,9H2,(H,16,18).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide?
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 249.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 113304561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).