N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide

C24H22FN3O3 — CID 5022696

IUPACN-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
SMILESCc1cccc(COc2ccc(C=NNC(=O)CC(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C24H22FN3O3/c1-17-3-2-4-19(13-17)16-31-22-11-5-18(6-12-22)15-26-28-24(30)14-23(29)27-21-9-7-20(25)8-10-21/h2-13,15H,14,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyKWPMOHILVVMCJK-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.19
Rot. Bonds8

About N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide

N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide (PubChem CID 5022696) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
PubChem CID5022696
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
SMILESCc1cccc(COc2ccc(C=NNC(=O)CC(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C24H22FN3O3/c1-17-3-2-4-19(13-17)16-31-22-11-5-18(6-12-22)15-26-28-24(30)14-23(29)27-21-9-7-20(25)8-10-21/h2-13,15H,14,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyKWPMOHILVVMCJK-UHFFFAOYSA-N
XLogP4.19
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 3520778
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
N-(4-methoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5077102
N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4317093
N-(4-fluorophenyl)-N'-[(4-prop-2-ynoxyphenyl)methylideneamino]propanediamide
CID 5004330
N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 97262973
1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 4200590
N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3373241
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
N-[(E)-[3,5-diiodo-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126250456
4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339795
N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 4207869

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide (CID 5022696) is N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide is Cc1cccc(COc2ccc(C=NNC(=O)CC(=O)Nc3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide?
The InChIKey is KWPMOHILVVMCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-17-3-2-4-19(13-17)16-31-22-11-5-18(6-12-22)15-26-28-24(30)14-23(29)27-21-9-7-20(25)8-10-21/h2-13,15H,14,16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide?
N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide has a molecular weight of 419.46 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide is sourced from PubChem (CID 5022696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).