(2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide

C12H14FN3 — CID 89228433

IUPAC(2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C=C\C(=C)N(C)c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-9(6-7-12(14)15)16(2)11-5-3-4-10(13)8-11/h3-8H,1H2,2H3,(H3,14,15)/b7-6-
InChIKeyOQNKSQOJVKORRB-SREVYHEPSA-N
MW219.26 g/mol
LogP2.27
Rot. Bonds4

About (2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide

(2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide (PubChem CID 89228433) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide
PubChem CID89228433
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name(2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C=C\C(=C)N(C)c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-9(6-7-12(14)15)16(2)11-5-3-4-10(13)8-11/h3-8H,1H2,2H3,(H3,14,15)/b7-6-
InChIKeyOQNKSQOJVKORRB-SREVYHEPSA-N
XLogP2.27
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide?
The IUPAC name of (2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide (CID 89228433) is (2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide?
The canonical SMILES for (2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide is [H]/N=C(N)/C=C\C(=C)N(C)c1cccc(F)c1.
What is the InChIKey of (2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide?
The InChIKey is OQNKSQOJVKORRB-SREVYHEPSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9(6-7-12(14)15)16(2)11-5-3-4-10(13)8-11/h3-8H,1H2,2H3,(H3,14,15)/b7-6-.
What are the key properties of (2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide?
(2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide has a molecular weight of 219.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-(3-fluoro-N-methylanilino)penta-2,4-dienimidamide is sourced from PubChem (CID 89228433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).