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'}

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

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Launch Full Analysis

Related Compounds

3-[[(2S)-4-benzo[b][1]benzazepin-11-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10226854
5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid
CID 10298882
3-[[(2S)-4-(10-cyclopropylphenazin-5-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10117528
3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium
CID 59067088
propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate
CID 22871010
(2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide
CID 22771099
3-[[(2S)-4-(2,3-dichlorocarbazol-9-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10301071
5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid
CID 21241234
3-[[(2S)-4-(2-chlorocarbazol-9-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10116368
3-[[(2R)-4-(3,6-dichlorocarbazol-9-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 135556521
5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid
CID 23535529
N-(1-fluoro-2-oxopentan-3-yl)-4-isoquinolin-1-yl-4-oxo-2-propan-2-ylbutanamide
CID 173213994

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).