N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

C17H14FN3O2 — CID 27847901

IUPACN-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccc1F)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H14FN3O2/c18-14-8-4-1-5-11(14)9-10-19-17(23)15-12-6-2-3-7-13(12)16(22)21-20-15/h1-8H,9-10H2,(H,19,23)(H,21,22)
InChIKeyVHCJWXZHJNOXQT-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.03
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 27847901) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID27847901
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccc1F)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H14FN3O2/c18-14-8-4-1-5-11(14)9-10-19-17(23)15-12-6-2-3-7-13(12)16(22)21-20-15/h1-8H,9-10H2,(H,19,23)(H,21,22)
InChIKeyVHCJWXZHJNOXQT-UHFFFAOYSA-N
XLogP2.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17418655
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832022
N-[2-(methylsulfamoyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 102685137
4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide
CID 60517905
4-oxo-N-pent-4-ynyl-3H-phthalazine-1-carboxamide
CID 103708902
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 103767680
4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide
CID 17435460
N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24683439
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide
CID 46598237

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 27847901) is N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(NCCc1ccccc1F)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is VHCJWXZHJNOXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-8-4-1-5-11(14)9-10-19-17(23)15-12-6-2-3-7-13(12)16(22)21-20-15/h1-8H,9-10H2,(H,19,23)(H,21,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 27847901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).