3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide

C16H14F2N2O — CID 58608651

IUPAC3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide
SMILESCc1ccc(/N=C(\N)CC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H14F2N2O/c1-10-2-5-12(6-3-10)20-16(19)9-15(21)13-7-4-11(17)8-14(13)18/h2-8H,9H2,1H3,(H2,19,20)
InChIKeyXTNWHUNUVWEDDG-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.53
Rot. Bonds4

About 3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide

3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide (PubChem CID 58608651) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide
PubChem CID58608651
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide
SMILESCc1ccc(/N=C(\N)CC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H14F2N2O/c1-10-2-5-12(6-3-10)20-16(19)9-15(21)13-7-4-11(17)8-14(13)18/h2-8H,9H2,1H3,(H2,19,20)
InChIKeyXTNWHUNUVWEDDG-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'}

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Related Compounds

(2E)-3-(4-aminophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 44592181
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
4-(1-Aminoethylideneamino)benzamide;hydrochloride
CID 45264763
(2E)-1-(4-aminophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
CID 5342345
N-(4-Acetylphenyl)guanidine
CID 12253725
N-hydroxy-2-oxo-N',2-diphenylethanimidamide
CID 6399630
2-(4-Acetylphenyl)guanidine;hydrochloride
CID 12253726
1-(4-Benzoylphenyl)guanidine hydrochloride
CID 24799981
2-[4-(4-Aminobenzoyl)phenyl]guanidine;dihydrochloride
CID 44549642

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide (CID 58608651) is 3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide is Cc1ccc(/N=C(\N)CC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide?
The InChIKey is XTNWHUNUVWEDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-10-2-5-12(6-3-10)20-16(19)9-15(21)13-7-4-11(17)8-14(13)18/h2-8H,9H2,1H3,(H2,19,20).
What are the key properties of 3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide?
3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-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 3-(2,4-difluorophenyl)-N'-(4-methylphenyl)-3-oxopropanimidamide is sourced from PubChem (CID 58608651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).