N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide

C14H16FNO — CID 79796109

IUPACN-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC=CCC2)c(F)c1
InChIInChI=1S/C14H16FNO/c1-10-7-8-12(13(15)9-10)14(17)16-11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,16,17)
InChIKeyDUVSYNZCLHNESX-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.97
Rot. Bonds2

About N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide

N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide (PubChem CID 79796109) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide
PubChem CID79796109
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC=CCC2)c(F)c1
InChIInChI=1S/C14H16FNO/c1-10-7-8-12(13(15)9-10)14(17)16-11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,16,17)
InChIKeyDUVSYNZCLHNESX-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
CID 115766037
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
N-[(1S,3R)-3-(dimethylsulfamoylamino)cyclopentyl]-2-fluoro-4-methylbenzamide
CID 146042229
2-fluoro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 79765205
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
N-(1,1-dioxothian-4-yl)-2-fluoro-5-methylbenzamide
CID 62509384
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113251113

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide (CID 79796109) is N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC2CC=CCC2)c(F)c1.
What is the InChIKey of N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide?
The InChIKey is DUVSYNZCLHNESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-10-7-8-12(13(15)9-10)14(17)16-11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,16,17).
What are the key properties of N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide?
N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide has a molecular weight of 233.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 79796109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).