N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide

C15H19FN2O — CID 108908063

IUPACN-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide
SMILESO=C(N/C=C/c1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C15H19FN2O/c16-14-7-5-13(6-8-14)9-10-17-15(19)18-11-3-1-2-4-12-18/h5-10H,1-4,11-12H2,(H,17,19)/b10-9+
InChIKeyMRPVDNLIAGXEMR-MDZDMXLPSA-N
MW262.33 g/mol
LogP3.38
Rot. Bonds2

About N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide

N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide (PubChem CID 108908063) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide
PubChem CID108908063
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide
SMILESO=C(N/C=C/c1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C15H19FN2O/c16-14-7-5-13(6-8-14)9-10-17-15(19)18-11-3-1-2-4-12-18/h5-10H,1-4,11-12H2,(H,17,19)/b10-9+
InChIKeyMRPVDNLIAGXEMR-MDZDMXLPSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide?
The IUPAC name of N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide (CID 108908063) is N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide?
The canonical SMILES for N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide is O=C(N/C=C/c1ccc(F)cc1)N1CCCCCC1.
What is the InChIKey of N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide?
The InChIKey is MRPVDNLIAGXEMR-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-14-7-5-13(6-8-14)9-10-17-15(19)18-11-3-1-2-4-12-18/h5-10H,1-4,11-12H2,(H,17,19)/b10-9+.
What are the key properties of N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide?
N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide is sourced from PubChem (CID 108908063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).