(Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine

C20H24F2N4O — CID 126733170

IUPAC(Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine
SMILESNN/C(CO[C@H]1CCN(Cc2ccc(F)cc2)C1)=C(\N)c1cccc(F)c1
InChIInChI=1S/C20H24F2N4O/c21-16-6-4-14(5-7-16)11-26-9-8-18(12-26)27-13-19(25-24)20(23)15-2-1-3-17(22)10-15/h1-7,10,18,25H,8-9,11-13,23-24H2/b20-19-/t18-/m0/s1
InChIKeyDKQDNUXMZLPKCB-ONNQFXDFSA-N
MW374.44 g/mol
LogP2.35
Rot. Bonds7

About (Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine

(Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine (PubChem CID 126733170) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is (Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine
PubChem CID126733170
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name(Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine
SMILESNN/C(CO[C@H]1CCN(Cc2ccc(F)cc2)C1)=C(\N)c1cccc(F)c1
InChIInChI=1S/C20H24F2N4O/c21-16-6-4-14(5-7-16)11-26-9-8-18(12-26)27-13-19(25-24)20(23)15-2-1-3-17(22)10-15/h1-7,10,18,25H,8-9,11-13,23-24H2/b20-19-/t18-/m0/s1
InChIKeyDKQDNUXMZLPKCB-ONNQFXDFSA-N
XLogP2.35
TPSA76.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine?
The IUPAC name of (Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine (CID 126733170) is (Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine?
The canonical SMILES for (Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine is NN/C(CO[C@H]1CCN(Cc2ccc(F)cc2)C1)=C(\N)c1cccc(F)c1.
What is the InChIKey of (Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine?
The InChIKey is DKQDNUXMZLPKCB-ONNQFXDFSA-N. The full InChI is InChI=1S/C20H24F2N4O/c21-16-6-4-14(5-7-16)11-26-9-8-18(12-26)27-13-19(25-24)20(23)15-2-1-3-17(22)10-15/h1-7,10,18,25H,8-9,11-13,23-24H2/b20-19-/t18-/m0/s1.
What are the key properties of (Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine?
(Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine has a molecular weight of 374.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-2-hydrazinylprop-1-en-1-amine is sourced from PubChem (CID 126733170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).