N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C19H17FN4O3 — CID 9419054

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17FN4O3/c1-24(11-17(25)21-13-6-4-5-12(20)9-13)18(26)10-16-14-7-2-3-8-15(14)19(27)23-22-16/h2-9H,10-11H2,1H3,(H,21,25)(H,23,27)
InChIKeyZWHRVCQBISKHQT-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.70
Rot. Bonds5

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 9419054) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID9419054
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17FN4O3/c1-24(11-17(25)21-13-6-4-5-12(20)9-13)18(26)10-16-14-7-2-3-8-15(14)19(27)23-22-16/h2-9H,10-11H2,1H3,(H,21,25)(H,23,27)
InChIKeyZWHRVCQBISKHQT-UHFFFAOYSA-N
XLogP1.70
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 9419054) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is ZWHRVCQBISKHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-24(11-17(25)21-13-6-4-5-12(20)9-13)18(26)10-16-14-7-2-3-8-15(14)19(27)23-22-16/h2-9H,10-11H2,1H3,(H,21,25)(H,23,27).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 368.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 9419054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).