(Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide

C17H17FN2O3 — CID 135428230

IUPAC(Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide
SMILESCOc1ccc(/N=C(N)/C=C(\O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H17FN2O3/c1-22-13-7-8-14(16(9-13)23-2)20-17(19)10-15(21)11-3-5-12(18)6-4-11/h3-10,21H,1-2H3,(H2,19,20)/b15-10-
InChIKeySAOMQOGPDBPGTR-GDNBJRDFSA-N
MW316.33 g/mol
LogP3.43
Rot. Bonds5

About (Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide

(Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide (PubChem CID 135428230) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is (Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide
PubChem CID135428230
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name(Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide
SMILESCOc1ccc(/N=C(N)/C=C(\O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H17FN2O3/c1-22-13-7-8-14(16(9-13)23-2)20-17(19)10-15(21)11-3-5-12(18)6-4-11/h3-10,21H,1-2H3,(H2,19,20)/b15-10-
InChIKeySAOMQOGPDBPGTR-GDNBJRDFSA-N
XLogP3.43
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
CID 54694629
(E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide
CID 58478982
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881
2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine
CID 62484149
(Z)-3-(4-fluorophenyl)-3-hydroxy-N'-[3-(hydroxymethyl)phenyl]prop-2-enimidamide
CID 135407401
N'-[1-(4-fluorophenoxy)-6,8-dimethoxyisoquinolin-3-yl]-3-methylbut-2-enimidamide
CID 143490222
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
2-(5-fluoro-2-methoxyphenyl)guanidine
CID 82490728
(Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide
CID 176670129
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzenecarbothioamide
CID 22680268
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide?
The IUPAC name of (Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide (CID 135428230) is (Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide.
What is the SMILES notation for (Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide?
The canonical SMILES for (Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide is COc1ccc(/N=C(N)/C=C(\O)c2ccc(F)cc2)c(OC)c1.
What is the InChIKey of (Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide?
The InChIKey is SAOMQOGPDBPGTR-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-22-13-7-8-14(16(9-13)23-2)20-17(19)10-15(21)11-3-5-12(18)6-4-11/h3-10,21H,1-2H3,(H2,19,20)/b15-10-.
What are the key properties of (Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide?
(Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide has a molecular weight of 316.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide is sourced from PubChem (CID 135428230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).