(Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile

C17H17ClN4O — CID 170148061

IUPAC(Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile
SMILESCc1ccc(Cl)cc1COc1cccc(/C(N)=C(\C#N)NN)c1
InChIInChI=1S/C17H17ClN4O/c1-11-5-6-14(18)7-13(11)10-23-15-4-2-3-12(8-15)17(20)16(9-19)22-21/h2-8,22H,10,20-21H2,1H3/b17-16-
InChIKeyAMDFVXHUKGTWCU-MSUUIHNZSA-N
MW328.80 g/mol
LogP2.84
Rot. Bonds5

About (Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile

(Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile (PubChem CID 170148061) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is (Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile
PubChem CID170148061
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name(Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile
SMILESCc1ccc(Cl)cc1COc1cccc(/C(N)=C(\C#N)NN)c1
InChIInChI=1S/C17H17ClN4O/c1-11-5-6-14(18)7-13(11)10-23-15-4-2-3-12(8-15)17(20)16(9-19)22-21/h2-8,22H,10,20-21H2,1H3/b17-16-
InChIKeyAMDFVXHUKGTWCU-MSUUIHNZSA-N
XLogP2.84
TPSA97.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.84
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'}

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Related Compounds

(Z)-3-amino-3-(3-but-2-ynoxyphenyl)-2-hydrazinylprop-2-enenitrile
CID 170147895
(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile
CID 170147919
(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148001
(Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile
CID 170147884
(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-(1,3-thiazol-5-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148066
(Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile
CID 170148044
(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile
CID 170147977
5-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479674
(Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile
CID 170148018
3-[(5-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 103046763
(Z)-3-[3-(3-acetylphenyl)phenyl]-3-amino-2-hydrazinylprop-2-enenitrile
CID 170147689

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile?
The IUPAC name of (Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile (CID 170148061) is (Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile is Cc1ccc(Cl)cc1COc1cccc(/C(N)=C(\C#N)NN)c1.
What is the InChIKey of (Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile?
The InChIKey is AMDFVXHUKGTWCU-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-11-5-6-14(18)7-13(11)10-23-15-4-2-3-12(8-15)17(20)16(9-19)22-21/h2-8,22H,10,20-21H2,1H3/b17-16-.
What are the key properties of (Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile?
(Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile has a molecular weight of 328.80 g/mol, XLogP of 2.84, 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-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile is sourced from PubChem (CID 170148061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).