N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide

C20H22FN3O3 — CID 4542662

IUPACN-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
SMILESCCCOc1ccccc1C=NNC(=O)CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O3/c1-2-13-27-18-6-4-3-5-15(18)14-22-24-20(26)12-11-19(25)23-17-9-7-16(21)8-10-17/h3-10,14H,2,11-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyUYFZRVWPZYZODD-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.48
Rot. Bonds9

About N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide

N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide (PubChem CID 4542662) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
PubChem CID4542662
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
SMILESCCCOc1ccccc1C=NNC(=O)CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O3/c1-2-13-27-18-6-4-3-5-15(18)14-22-24-20(26)12-11-19(25)23-17-9-7-16(21)8-10-17/h3-10,14H,2,11-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyUYFZRVWPZYZODD-UHFFFAOYSA-N
XLogP3.48
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078
N-(2,5-dimethylphenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 5197278
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3289635
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N'-[(2-butoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 5126962
N-(4-ethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988796
N-(4-iodophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 46502393
2-(2-methoxyphenoxy)-N-[(E)-(2-propoxyphenyl)methylideneamino]acetamide
CID 6872121
N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988803
N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 4619789
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 4009755

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide (CID 4542662) is N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide is CCCOc1ccccc1C=NNC(=O)CCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide?
The InChIKey is UYFZRVWPZYZODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-2-13-27-18-6-4-3-5-15(18)14-22-24-20(26)12-11-19(25)23-17-9-7-16(21)8-10-17/h3-10,14H,2,11-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide?
N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide has a molecular weight of 371.41 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 4542662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).