N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide

C19H22FN3O2 — CID 68918230

IUPACN-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide
SMILESCOc1ccc(/N=C(/NNc2ccc(F)cc2)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H22FN3O2/c1-19(2,3)17(24)18(21-14-9-11-16(25-4)12-10-14)23-22-15-7-5-13(20)6-8-15/h5-12,22H,1-4H3,(H,21,23)
InChIKeyQJJAHWATNQZPBM-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.10
Rot. Bonds5

About N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide

N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide (PubChem CID 68918230) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide.

Molecular Properties

Compound NameN-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide
PubChem CID68918230
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide
SMILESCOc1ccc(/N=C(/NNc2ccc(F)cc2)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H22FN3O2/c1-19(2,3)17(24)18(21-14-9-11-16(25-4)12-10-14)23-22-15-7-5-13(20)6-8-15/h5-12,22H,1-4H3,(H,21,23)
InChIKeyQJJAHWATNQZPBM-UHFFFAOYSA-N
XLogP4.10
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
N'-(4-chloro-2-fluorophenyl)-N-(3-methoxyanilino)-3,3-dimethyl-2-oxobutanimidamide
CID 156578313
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline
CID 2853312
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate
CID 10847464
N-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanimine
CID 139246217
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
methyl (E)-2-acetamido-3-(4-fluorophenyl)-3-(4-methoxyanilino)prop-2-enoate
CID 102495981
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 158094253
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide?
The IUPAC name of N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide (CID 68918230) is N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide.
What is the SMILES notation for N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide?
The canonical SMILES for N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide is COc1ccc(/N=C(/NNc2ccc(F)cc2)C(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide?
The InChIKey is QJJAHWATNQZPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-19(2,3)17(24)18(21-14-9-11-16(25-4)12-10-14)23-22-15-7-5-13(20)6-8-15/h5-12,22H,1-4H3,(H,21,23).
What are the key properties of N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide?
N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide has a molecular weight of 343.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide is sourced from PubChem (CID 68918230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).