N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide

C16H14F2N2O — CID 58608531

IUPACN'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
SMILESCc1ccc(F)c(/N=C(\N)CC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14F2N2O/c1-10-2-7-13(18)14(8-10)20-16(19)9-15(21)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H2,19,20)
InChIKeyJTHQBTLOIIKSKD-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.53
Rot. Bonds4

About N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide

N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide (PubChem CID 58608531) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
PubChem CID58608531
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
SMILESCc1ccc(F)c(/N=C(\N)CC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14F2N2O/c1-10-2-7-13(18)14(8-10)20-16(19)9-15(21)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H2,19,20)
InChIKeyJTHQBTLOIIKSKD-UHFFFAOYSA-N
XLogP3.53
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.53
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'}

Analyze N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-(2-Oxo-2-phenylethyl)phenyl)guanidine
CID 16758228
N'-(4-acetylphenyl)ethanimidamide;hydrochloride
CID 45261199
Sbb046043
CID 10608702
N-hydroxy-2-oxo-N',2-diphenylethanimidamide
CID 6399630
(2E)-1-(3-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
CID 45032321
N'-[3-(2-aminophenyl)-3-oxopropyl]benzenecarboximidamide
CID 164614407
N'-[3-(2-aminophenyl)-3-oxopropyl]-4-(trifluoromethyl)benzenecarboximidamide
CID 164626704
N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide
CID 164626768
N-(3-Acetylphenyl)guanidine
CID 3421720
(3e)-1-Phenyl-3-(phenylimino)butan-1-one
CID 289395
3,3,3-Trifluoro-1-phenyl-2-phenyliminopropan-1-one
CID 11087054
(2e)-1-(3-Aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 155817916

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
The IUPAC name of N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide (CID 58608531) is N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide.
What is the SMILES notation for N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
The canonical SMILES for N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide is Cc1ccc(F)c(/N=C(\N)CC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
The InChIKey is JTHQBTLOIIKSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-10-2-7-13(18)14(8-10)20-16(19)9-15(21)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H2,19,20).
What are the key properties of N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide has a molecular weight of 288.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide is sourced from PubChem (CID 58608531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).