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

C24H22F2N4O3 — CID 3204855

IUPACN'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C24H22F2N4O3/c25-18-6-4-17(5-7-18)15-28-23(32)16-30(20-10-8-19(26)9-11-20)24(33)13-12-22(31)29-21-3-1-2-14-27-21/h1-11,14H,12-13,15-16H2,(H,28,32)(H,27,29,31)
InChIKeyCXHIPBVICLYOEB-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.43
Rot. Bonds9

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

N'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3204855) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3204855
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC NameN'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C24H22F2N4O3/c25-18-6-4-17(5-7-18)15-28-23(32)16-30(20-10-8-19(26)9-11-20)24(33)13-12-22(31)29-21-3-1-2-14-27-21/h1-11,14H,12-13,15-16H2,(H,28,32)(H,27,29,31)
InChIKeyCXHIPBVICLYOEB-UHFFFAOYSA-N
XLogP3.43
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3204855) is N'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide is O=C(CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)cc1)NCc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is CXHIPBVICLYOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c25-18-6-4-17(5-7-18)15-28-23(32)16-30(20-10-8-19(26)9-11-20)24(33)13-12-22(31)29-21-3-1-2-14-27-21/h1-11,14H,12-13,15-16H2,(H,28,32)(H,27,29,31).
What are the key properties of N'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-(4-fluorophenyl)-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 452.46 g/mol, XLogP of 3.43, 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-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).