N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide

C26H26F2N4O3 — CID 3204986

IUPACN'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide
SMILESCC(C)NC(=O)C(c1ccc(F)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1cccc(F)c1
InChIInChI=1S/C26H26F2N4O3/c1-17(2)30-26(35)25(18-9-11-19(27)12-10-18)32(21-7-5-6-20(28)16-21)24(34)14-13-23(33)31-22-8-3-4-15-29-22/h3-12,15-17,25H,13-14H2,1-2H3,(H,30,35)(H,29,31,33)
InChIKeyAYDOCXBOPZKIEV-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.38
Rot. Bonds9

About N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide

N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3204986) has the molecular formula C26H26F2N4O3 and a molecular weight of 480.52 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3204986
Molecular FormulaC26H26F2N4O3
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC NameN'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide
SMILESCC(C)NC(=O)C(c1ccc(F)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1cccc(F)c1
InChIInChI=1S/C26H26F2N4O3/c1-17(2)30-26(35)25(18-9-11-19(27)12-10-18)32(21-7-5-6-20(28)16-21)24(34)14-13-23(33)31-22-8-3-4-15-29-22/h3-12,15-17,25H,13-14H2,1-2H3,(H,30,35)(H,29,31,33)
InChIKeyAYDOCXBOPZKIEV-UHFFFAOYSA-N
XLogP4.38
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide (CID 3204986) is N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide is CC(C)NC(=O)C(c1ccc(F)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is AYDOCXBOPZKIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3/c1-17(2)30-26(35)25(18-9-11-19(27)12-10-18)32(21-7-5-6-20(28)16-21)24(34)14-13-23(33)31-22-8-3-4-15-29-22/h3-12,15-17,25H,13-14H2,1-2H3,(H,30,35)(H,29,31,33).
What are the key properties of N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide?
N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 480.52 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N'-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).