(Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile

C21H18N4O — CID 170147796

IUPAC(Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(-c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C21H18N4O/c22-14-19(25-24)21(23)16-8-6-7-15(13-16)18-11-4-5-12-20(18)26-17-9-2-1-3-10-17/h1-13,25H,23-24H2/b21-19-
InChIKeyXLLQABSXSZCLJQ-VZCXRCSSSA-N
MW342.40 g/mol
LogP3.76
Rot. Bonds5

About (Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile (PubChem CID 170147796) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile
PubChem CID170147796
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(-c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C21H18N4O/c22-14-19(25-24)21(23)16-8-6-7-15(13-16)18-11-4-5-12-20(18)26-17-9-2-1-3-10-17/h1-13,25H,23-24H2/b21-19-
InChIKeyXLLQABSXSZCLJQ-VZCXRCSSSA-N
XLogP3.76
TPSA97.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.76
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-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-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

Related Compounds

(Z)-3-amino-2-hydrazinyl-3-[3-(4-methylphenyl)phenyl]prop-2-enenitrile
CID 170147789
(Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile
CID 170147689
(Z)-3-amino-2-hydrazinyl-3-[3-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile
CID 170147683
(Z)-3-amino-3-(3-but-2-ynoxyphenyl)-2-hydrazinylprop-2-enenitrile
CID 170147895
(Z)-3-amino-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-hydrazinylprop-2-enenitrile
CID 170147701
(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile
CID 170148040
(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methylcyclohexyl)methoxy]phenyl]prop-2-enenitrile
CID 170147982
1-fluoro-3-(2-phenoxyphenyl)benzene
CID 56979029
(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148001
(Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile
CID 170147862
(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-5-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148066
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile (CID 170147796) is (Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile is N#C/C(NN)=C(/N)c1cccc(-c2ccccc2Oc2ccccc2)c1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile?
The InChIKey is XLLQABSXSZCLJQ-VZCXRCSSSA-N. The full InChI is InChI=1S/C21H18N4O/c22-14-19(25-24)21(23)16-8-6-7-15(13-16)18-11-4-5-12-20(18)26-17-9-2-1-3-10-17/h1-13,25H,23-24H2/b21-19-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile?
(Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile has a molecular weight of 342.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 170147796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).