(E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide

C16H20FNO — CID 110298620

IUPAC(E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide
SMILESC/C(=C\c1ccccc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20FNO/c1-12(11-13-7-5-6-10-15(13)17)16(19)18-14-8-3-2-4-9-14/h5-7,10-11,14H,2-4,8-9H2,1H3,(H,18,19)/b12-11+
InChIKeyIYOUAYDYWZTJCB-VAWYXSNFSA-N
MW261.34 g/mol
LogP3.68
Rot. Bonds3

About (E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide

(E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide (PubChem CID 110298620) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide
PubChem CID110298620
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name(E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide
SMILESC/C(=C\c1ccccc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20FNO/c1-12(11-13-7-5-6-10-15(13)17)16(19)18-14-8-3-2-4-9-14/h5-7,10-11,14H,2-4,8-9H2,1H3,(H,18,19)/b12-11+
InChIKeyIYOUAYDYWZTJCB-VAWYXSNFSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide (CID 110298620) is (E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide is C/C(=C\c1ccccc1F)C(=O)NC1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide?
The InChIKey is IYOUAYDYWZTJCB-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H20FNO/c1-12(11-13-7-5-6-10-15(13)17)16(19)18-14-8-3-2-4-9-14/h5-7,10-11,14H,2-4,8-9H2,1H3,(H,18,19)/b12-11+.
What are the key properties of (E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide?
(E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide has a molecular weight of 261.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 110298620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).