N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide

C16H16FN3O — CID 11778680

IUPACN'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide
SMILESCC(=O)/C(=N\c1cccc(F)c1)NNc1ccccc1C
InChIInChI=1S/C16H16FN3O/c1-11-6-3-4-9-15(11)19-20-16(12(2)21)18-14-8-5-7-13(17)10-14/h3-10,19H,1-2H3,(H,18,20)
InChIKeyGXXUKQCMZODZOL-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.37
Rot. Bonds4

About N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide

N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide (PubChem CID 11778680) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide
PubChem CID11778680
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide
SMILESCC(=O)/C(=N\c1cccc(F)c1)NNc1ccccc1C
InChIInChI=1S/C16H16FN3O/c1-11-6-3-4-9-15(11)19-20-16(12(2)21)18-14-8-5-7-13(17)10-14/h3-10,19H,1-2H3,(H,18,20)
InChIKeyGXXUKQCMZODZOL-UHFFFAOYSA-N
XLogP3.37
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylanilino)-2-oxo-N'-[3-(trifluoromethyl)phenyl]propanimidamide
CID 10914632
N-(2-chloroanilino)-N'-(3-methoxyphenyl)-2-oxopropanimidamide
CID 11034476
N-(2-cyanoanilino)-2-oxo-N'-phenylpropanimidamide
CID 11065773
N'-(3-fluorophenyl)-3,3-dimethyl-N-(4-methylsulfonylanilino)-2-oxobutanimidamide
CID 68919925
(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135672253
N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
CID 139246224
2-hydroxy-2-methyl-N'-(2-methylphenyl)propanehydrazide
CID 785622
N'-(3-fluorophenyl)-3,3-dimethyl-N-(N-methylsulfonylanilino)-2-oxobutanimidamide
CID 174548115
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
N-(3-fluorophenyl)-2-[4-[1-(2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 60513033
2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide
CID 135498673
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide?
The IUPAC name of N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide (CID 11778680) is N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide is CC(=O)/C(=N\c1cccc(F)c1)NNc1ccccc1C.
What is the InChIKey of N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide?
The InChIKey is GXXUKQCMZODZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-11-6-3-4-9-15(11)19-20-16(12(2)21)18-14-8-5-7-13(17)10-14/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide?
N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide has a molecular weight of 285.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-(2-methylanilino)-2-oxopropanimidamide is sourced from PubChem (CID 11778680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).