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

C14H16FNO — CID 80712236

IUPACN-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CC=CCC2)c1F
InChIInChI=1S/C14H16FNO/c1-10-6-5-9-12(13(10)15)14(17)16-11-7-3-2-4-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,16,17)
InChIKeyARWIFUBWDJMKNT-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.97
Rot. Bonds2

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

N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide (PubChem CID 80712236) 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-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide
PubChem CID80712236
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CC=CCC2)c1F
InChIInChI=1S/C14H16FNO/c1-10-6-5-9-12(13(10)15)14(17)16-11-7-3-2-4-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,16,17)
InChIKeyARWIFUBWDJMKNT-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

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CID 80712137
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CID 80719060
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2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
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N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide
CID 79796109
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
CID 115696804
2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 80710472
2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
CID 103855346
2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
CID 136520781
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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide?
The IUPAC name of N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide (CID 80712236) is N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC2CC=CCC2)c1F.
What is the InChIKey of N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide?
The InChIKey is ARWIFUBWDJMKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-10-6-5-9-12(13(10)15)14(17)16-11-7-3-2-4-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,16,17).
What are the key properties of N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide?
N-cyclohex-3-en-1-yl-2-fluoro-3-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-3-methylbenzamide is sourced from PubChem (CID 80712236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).