3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide

C23H17FN4O4 — CID 55886811

IUPAC3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C23H17FN4O4/c24-15-6-4-8-17(12-15)26-21(30)14-5-3-7-16(11-14)25-20(29)13-28-23(32)19-10-2-1-9-18(19)22(31)27-28/h1-12H,13H2,(H,25,29)(H,26,30)(H,27,31)
InChIKeyIXKSOCSVIMRWTM-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.72
Rot. Bonds5

About 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide

3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide (PubChem CID 55886811) has the molecular formula C23H17FN4O4 and a molecular weight of 432.41 g/mol. Its IUPAC name is 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide
PubChem CID55886811
Molecular FormulaC23H17FN4O4
Molecular Weight432.41 g/mol
Exact Mass432.12
IUPAC Name3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C23H17FN4O4/c24-15-6-4-8-17(12-15)26-21(30)14-5-3-7-16(11-14)25-20(29)13-28-23(32)19-10-2-1-9-18(19)22(31)27-28/h1-12H,13H2,(H,25,29)(H,26,30)(H,27,31)
InChIKeyIXKSOCSVIMRWTM-UHFFFAOYSA-N
XLogP2.72
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzoate
CID 9228145
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-iodophenyl)acetamide
CID 26757705
N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9412227
N-(3,5-difluorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 24530023
N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2083338
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
CID 40711272
N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2524022
N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
CID 55887711
N-(4-cyclobutyloxy-3-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 91643960
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 40671948
N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 86817394

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide (CID 55886811) is 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide?
The InChIKey is IXKSOCSVIMRWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O4/c24-15-6-4-8-17(12-15)26-21(30)14-5-3-7-16(11-14)25-20(29)13-28-23(32)19-10-2-1-9-18(19)22(31)27-28/h1-12H,13H2,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide?
3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide has a molecular weight of 432.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 55886811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).