N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide

C19H20FN3O2 — CID 3355238

IUPACN-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C19H20FN3O2/c1-13-3-8-17(11-14(13)2)22-18(24)9-10-19(25)23-21-12-15-4-6-16(20)7-5-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCYGUENATIAZYCV-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.31
Rot. Bonds6

About N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide

N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide (PubChem CID 3355238) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide
PubChem CID3355238
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C19H20FN3O2/c1-13-3-8-17(11-14(13)2)22-18(24)9-10-19(25)23-21-12-15-4-6-16(20)7-5-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCYGUENATIAZYCV-UHFFFAOYSA-N
XLogP3.31
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide
CID 4082454
N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 5230931
methyl 4-[(Z)-[[4-(4-fluoroanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 6300359
N-(3,4-dimethylphenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4039695
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126268283
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
N'-[(4-tert-butylphenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide
CID 5024996
N-(3,4-dimethylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 4659144
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 135715645
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 3355241
N-(3,4-dimethylphenyl)-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136720944

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide (CID 3355238) is N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide is Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(F)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide?
The InChIKey is CYGUENATIAZYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-3-8-17(11-14(13)2)22-18(24)9-10-19(25)23-21-12-15-4-6-16(20)7-5-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide?
N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide has a molecular weight of 341.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3355238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).