(Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile

C16H14ClFN4O — CID 170147884

IUPAC(Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(COc2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H14ClFN4O/c17-12-4-5-15(13(18)7-12)23-9-10-2-1-3-11(6-10)16(20)14(8-19)22-21/h1-7,22H,9,20-21H2/b16-14-
InChIKeyFFTRAJBUBWRPFK-PEZBUJJGSA-N
MW332.77 g/mol
LogP2.67
Rot. Bonds5

About (Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile

(Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile (PubChem CID 170147884) has the molecular formula C16H14ClFN4O and a molecular weight of 332.77 g/mol. Its IUPAC name is (Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile
PubChem CID170147884
Molecular FormulaC16H14ClFN4O
Molecular Weight332.77 g/mol
Exact Mass332.08
IUPAC Name(Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(COc2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H14ClFN4O/c17-12-4-5-15(13(18)7-12)23-9-10-2-1-3-11(6-10)16(20)14(8-19)22-21/h1-7,22H,9,20-21H2/b16-14-
InChIKeyFFTRAJBUBWRPFK-PEZBUJJGSA-N
XLogP2.67
TPSA97.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile?
The IUPAC name of (Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile (CID 170147884) is (Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile is N#C/C(NN)=C(/N)c1cccc(COc2ccc(Cl)cc2F)c1.
What is the InChIKey of (Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile?
The InChIKey is FFTRAJBUBWRPFK-PEZBUJJGSA-N. The full InChI is InChI=1S/C16H14ClFN4O/c17-12-4-5-15(13(18)7-12)23-9-10-2-1-3-11(6-10)16(20)14(8-19)22-21/h1-7,22H,9,20-21H2/b16-14-.
What are the key properties of (Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile?
(Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile has a molecular weight of 332.77 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile is sourced from PubChem (CID 170147884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).