N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide

C19H19FIN3O2 — CID 2847008

IUPACN'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccc(I)cc1C)c1ccc(F)cc1
InChIInChI=1S/C19H19FIN3O2/c1-12-11-16(21)7-8-17(12)22-18(25)9-10-19(26)24-23-13(2)14-3-5-15(20)6-4-14/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyOZDQAFHJYUIYCB-UHFFFAOYSA-N
MW467.28 g/mol
LogP4.00
Rot. Bonds6

About N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide

N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide (PubChem CID 2847008) has the molecular formula C19H19FIN3O2 and a molecular weight of 467.28 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide
PubChem CID2847008
Molecular FormulaC19H19FIN3O2
Molecular Weight467.28 g/mol
Exact Mass467.05
IUPAC NameN'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccc(I)cc1C)c1ccc(F)cc1
InChIInChI=1S/C19H19FIN3O2/c1-12-11-16(21)7-8-17(12)22-18(25)9-10-19(26)24-23-13(2)14-3-5-15(20)6-4-14/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyOZDQAFHJYUIYCB-UHFFFAOYSA-N
XLogP4.00
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.28
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide
CID 4033970
N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6110651
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 3352206
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
methyl 4-(4-iodo-2-methylanilino)-4-oxobutanoate
CID 683994
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide
CID 55684471
N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4596964
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
N-(4-iodo-2-methylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795653

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide?
The IUPAC name of N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide (CID 2847008) is N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide?
The canonical SMILES for N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide is CC(=NNC(=O)CCC(=O)Nc1ccc(I)cc1C)c1ccc(F)cc1.
What is the InChIKey of N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide?
The InChIKey is OZDQAFHJYUIYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FIN3O2/c1-12-11-16(21)7-8-17(12)22-18(25)9-10-19(26)24-23-13(2)14-3-5-15(20)6-4-14/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide?
N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide has a molecular weight of 467.28 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide is sourced from PubChem (CID 2847008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).