N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide

C24H26FN3O4 — CID 88935471

IUPACN-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide
SMILESCC(C)C(CC(=O)N1c2ccccc2Nc2ccccc21)C(=O)NC(CC=O)C(=O)CF
InChIInChI=1S/C24H26FN3O4/c1-15(2)16(24(32)27-19(11-12-29)22(30)14-25)13-23(31)28-20-9-5-3-7-17(20)26-18-8-4-6-10-21(18)28/h3-10,12,15-16,19,26H,11,13-14H2,1-2H3,(H,27,32)
InChIKeyAMNRWNSUWXPRPE-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.68
Rot. Bonds9

About N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide

N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide (PubChem CID 88935471) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide
PubChem CID88935471
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC NameN-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide
SMILESCC(C)C(CC(=O)N1c2ccccc2Nc2ccccc21)C(=O)NC(CC=O)C(=O)CF
InChIInChI=1S/C24H26FN3O4/c1-15(2)16(24(32)27-19(11-12-29)22(30)14-25)13-23(31)28-20-9-5-3-7-17(20)26-18-8-4-6-10-21(18)28/h3-10,12,15-16,19,26H,11,13-14H2,1-2H3,(H,27,32)
InChIKeyAMNRWNSUWXPRPE-UHFFFAOYSA-N
XLogP3.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide?
The IUPAC name of N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide (CID 88935471) is N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide.
What is the SMILES notation for N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide?
The canonical SMILES for N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide is CC(C)C(CC(=O)N1c2ccccc2Nc2ccccc21)C(=O)NC(CC=O)C(=O)CF.
What is the InChIKey of N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide?
The InChIKey is AMNRWNSUWXPRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-15(2)16(24(32)27-19(11-12-29)22(30)14-25)13-23(31)28-20-9-5-3-7-17(20)26-18-8-4-6-10-21(18)28/h3-10,12,15-16,19,26H,11,13-14H2,1-2H3,(H,27,32).
What are the key properties of N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide?
N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide has a molecular weight of 439.49 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide is sourced from PubChem (CID 88935471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).