(Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide

C11H11FN4O — CID 176670129

IUPAC(Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide
SMILESCOc1cc(F)ccc1/N=C(N)/C(C#N)=C\N
InChIInChI=1S/C11H11FN4O/c1-17-10-4-8(12)2-3-9(10)16-11(15)7(5-13)6-14/h2-5H,13H2,1H3,(H2,15,16)/b7-5-
InChIKeyKZQYQWOTWGEKIM-ALCCZGGFSA-N
MW234.23 g/mol
LogP1.19
Rot. Bonds3

About (Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide

(Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide (PubChem CID 176670129) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is (Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide
PubChem CID176670129
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name(Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide
SMILESCOc1cc(F)ccc1/N=C(N)/C(C#N)=C\N
InChIInChI=1S/C11H11FN4O/c1-17-10-4-8(12)2-3-9(10)16-11(15)7(5-13)6-14/h2-5H,13H2,1H3,(H2,15,16)/b7-5-
InChIKeyKZQYQWOTWGEKIM-ALCCZGGFSA-N
XLogP1.19
TPSA97.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide?
The IUPAC name of (Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide (CID 176670129) is (Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide is COc1cc(F)ccc1/N=C(N)/C(C#N)=C\N.
What is the InChIKey of (Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide?
The InChIKey is KZQYQWOTWGEKIM-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-17-10-4-8(12)2-3-9(10)16-11(15)7(5-13)6-14/h2-5H,13H2,1H3,(H2,15,16)/b7-5-.
What are the key properties of (Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide?
(Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide has a molecular weight of 234.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide is sourced from PubChem (CID 176670129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).