N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C25H24F2N4O3 — CID 3204847

IUPACN'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccc(F)cc1
InChIInChI=1S/C25H24F2N4O3/c26-20-8-4-18(5-9-20)15-29-24(33)17-31(16-19-6-10-21(27)11-7-19)25(34)13-12-23(32)30-22-3-1-2-14-28-22/h1-11,14H,12-13,15-17H2,(H,29,33)(H,28,30,32)
InChIKeyCASAAEKPDAYQIW-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.42
Rot. Bonds10

About N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3204847) has the molecular formula C25H24F2N4O3 and a molecular weight of 466.49 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3204847
Molecular FormulaC25H24F2N4O3
Molecular Weight466.49 g/mol
Exact Mass466.18
IUPAC NameN'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccc(F)cc1
InChIInChI=1S/C25H24F2N4O3/c26-20-8-4-18(5-9-20)15-29-24(33)17-31(16-19-6-10-21(27)11-7-19)25(34)13-12-23(32)30-22-3-1-2-14-28-22/h1-11,14H,12-13,15-17H2,(H,29,33)(H,28,30,32)
InChIKeyCASAAEKPDAYQIW-UHFFFAOYSA-N
XLogP3.42
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3204847) is N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide is O=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is CASAAEKPDAYQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O3/c26-20-8-4-18(5-9-20)15-29-24(33)17-31(16-19-6-10-21(27)11-7-19)25(34)13-12-23(32)30-22-3-1-2-14-28-22/h1-11,14H,12-13,15-17H2,(H,29,33)(H,28,30,32).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 466.49 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).