4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide

C17H23FN2O2 — CID 42623269

IUPAC4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide
SMILESNC/C=C(/F)COc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
InChIKeyXVWFLTZRHVOLDH-GXDHUFHOSA-N
MW306.38 g/mol
LogP2.94
Rot. Bonds6

About 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide

4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide (PubChem CID 42623269) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide
PubChem CID42623269
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide
SMILESNC/C=C(/F)COc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+
InChIKeyXVWFLTZRHVOLDH-GXDHUFHOSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide?
The IUPAC name of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide (CID 42623269) is 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide?
The canonical SMILES for 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide is NC/C=C(/F)COc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide?
The InChIKey is XVWFLTZRHVOLDH-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-14(10-11-19)12-22-16-8-6-13(7-9-16)17(21)20-15-4-2-1-3-5-15/h6-10,15H,1-5,11-12,19H2,(H,20,21)/b14-10+.
What are the key properties of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide?
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide has a molecular weight of 306.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide is sourced from PubChem (CID 42623269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).