N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide

C19H20FN3O4 — CID 4552108

IUPACN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
SMILESCOc1ccc(OC)c(C=NNC(=O)CCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3O4/c1-26-16-7-8-17(27-2)13(11-16)12-21-23-19(25)10-9-18(24)22-15-5-3-14(20)4-6-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDVUHFOQENHBFRL-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.71
Rot. Bonds8

About N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide

N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide (PubChem CID 4552108) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide.

Molecular Properties

Compound NameN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
PubChem CID4552108
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
SMILESCOc1ccc(OC)c(C=NNC(=O)CCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3O4/c1-26-16-7-8-17(27-2)13(11-16)12-21-23-19(25)10-9-18(24)22-15-5-3-14(20)4-6-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDVUHFOQENHBFRL-UHFFFAOYSA-N
XLogP2.71
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3455100
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3295281
N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
CID 135613904
N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
CID 5003294
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-[4-(trifluoromethyl)phenyl]butanediamide
CID 19579638
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556
N'-[(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 4591503
N-[3-[2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4239499
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 5244595

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide?
The IUPAC name of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide (CID 4552108) is N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide.
What is the SMILES notation for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide?
The canonical SMILES for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide is COc1ccc(OC)c(C=NNC(=O)CCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide?
The InChIKey is DVUHFOQENHBFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-26-16-7-8-17(27-2)13(11-16)12-21-23-19(25)10-9-18(24)22-15-5-3-14(20)4-6-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide?
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide has a molecular weight of 373.38 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide is sourced from PubChem (CID 4552108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).