N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide

C19H20FN3O2 — CID 4033970

IUPACN'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1cccc(C)c1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-4-3-5-17(12-13)21-18(24)10-11-19(25)23-22-14(2)15-6-8-16(20)9-7-15/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyZHCWHXJLXSSMNM-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.39
Rot. Bonds6

About N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide

N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide (PubChem CID 4033970) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide
PubChem CID4033970
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1cccc(C)c1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-4-3-5-17(12-13)21-18(24)10-11-19(25)23-22-14(2)15-6-8-16(20)9-7-15/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyZHCWHXJLXSSMNM-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide
CID 2847008
N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 567431
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
3-[(3-bromobenzoyl)amino]-N-[1-(4-fluorophenyl)ethylideneamino]benzamide
CID 86809554
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 6075641
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 92847264
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide?
The IUPAC name of N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide (CID 4033970) is N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide?
The canonical SMILES for N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide is CC(=NNC(=O)CCC(=O)Nc1cccc(C)c1)c1ccc(F)cc1.
What is the InChIKey of N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide?
The InChIKey is ZHCWHXJLXSSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-4-3-5-17(12-13)21-18(24)10-11-19(25)23-22-14(2)15-6-8-16(20)9-7-15/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide?
N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide has a molecular weight of 341.39 g/mol, XLogP of 3.39, 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-(3-methylphenyl)butanediamide is sourced from PubChem (CID 4033970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).