N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide

C15H13FN2O — CID 58608592

IUPACN'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide
SMILESN/C(CC(=O)c1ccccc1)=N\c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c16-12-6-8-13(9-7-12)18-15(17)10-14(19)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)
InChIKeyQKQBWHOQAYEGPW-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.09
Rot. Bonds4

About N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide

N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide (PubChem CID 58608592) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide
PubChem CID58608592
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC NameN'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide
SMILESN/C(CC(=O)c1ccccc1)=N\c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c16-12-6-8-13(9-7-12)18-15(17)10-14(19)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)
InChIKeyQKQBWHOQAYEGPW-UHFFFAOYSA-N
XLogP3.09
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Amino-5-fluorophenyl)(phenyl)methanone
CID 778082
(4-Aminophenyl)(4-fluorophenyl)methanone
CID 577826
(2E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 44592181
2-Amino-4'-fluorobenzophenone
CID 9837287
1-(4-(2-Oxo-2-phenylethyl)phenyl)guanidine
CID 16758228
2-[4-[4-(Diaminomethylideneamino)benzoyl]phenyl]guanidine
CID 44313718
(e)-2-Fluoro-4'-aminochalcone
CID 22786811
N'-(4-acetylphenyl)ethanimidamide;hydrochloride
CID 45261199
(2E)-1-(4-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
CID 5342345
N-(4-Acetylphenyl)guanidine
CID 12253725
(E)-1-(2-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 155562698
2-Amino-2'-fluorobenzophenone
CID 74101

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide?
The IUPAC name of N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide (CID 58608592) is N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide.
What is the SMILES notation for N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide?
The canonical SMILES for N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide is N/C(CC(=O)c1ccccc1)=N\c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide?
The InChIKey is QKQBWHOQAYEGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-12-6-8-13(9-7-12)18-15(17)10-14(19)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18).
What are the key properties of N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide?
N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide has a molecular weight of 256.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-3-oxo-3-phenylpropanimidamide is sourced from PubChem (CID 58608592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).