N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide

C21H22F2N4O2 — CID 4059659

IUPACN,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)NN=Cc1ccccc1F)NN=Cc1ccccc1F
InChIInChI=1S/C21H22F2N4O2/c22-18-10-6-4-8-16(18)14-24-26-20(28)12-2-1-3-13-21(29)27-25-15-17-9-5-7-11-19(17)23/h4-11,14-15H,1-3,12-13H2,(H,26,28)(H,27,29)
InChIKeyGVPKNIAVSWHWDV-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.52
Rot. Bonds10

About N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide

N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide (PubChem CID 4059659) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
PubChem CID4059659
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC NameN,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)NN=Cc1ccccc1F)NN=Cc1ccccc1F
InChIInChI=1S/C21H22F2N4O2/c22-18-10-6-4-8-16(18)14-24-26-20(28)12-2-1-3-13-21(29)27-25-15-17-9-5-7-11-19(17)23/h4-11,14-15H,1-3,12-13H2,(H,26,28)(H,27,29)
InChIKeyGVPKNIAVSWHWDV-UHFFFAOYSA-N
XLogP3.52
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553
N-(4-bromophenyl)-N'-[(2-fluorophenyl)methylideneamino]butanediamide
CID 3450603
N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 4619789
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 3955883
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-methylphenyl)methylideneamino]undecanamide
CID 4136077
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506449
N-[(Z)-(2-hydroxyphenyl)methylideneamino]undec-10-enamide
CID 136802207

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide?
The IUPAC name of N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide (CID 4059659) is N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide.
What is the SMILES notation for N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide?
The canonical SMILES for N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide is O=C(CCCCCC(=O)NN=Cc1ccccc1F)NN=Cc1ccccc1F.
What is the InChIKey of N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide?
The InChIKey is GVPKNIAVSWHWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c22-18-10-6-4-8-16(18)14-24-26-20(28)12-2-1-3-13-21(29)27-25-15-17-9-5-7-11-19(17)23/h4-11,14-15H,1-3,12-13H2,(H,26,28)(H,27,29).
What are the key properties of N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide?
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide has a molecular weight of 400.43 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide is sourced from PubChem (CID 4059659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).