3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide

C17H14FN3O2 — CID 4543224

IUPAC3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccccc2F)c2ccccc2c1=O
InChIInChI=1S/C17H14FN3O2/c1-2-21-17(23)12-8-4-3-7-11(12)15(20-21)16(22)19-14-10-6-5-9-13(14)18/h3-10H,2H2,1H3,(H,19,22)
InChIKeyHANDQZWBNDUYMN-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.81
Rot. Bonds3

About 3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide

3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 4543224) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
PubChem CID4543224
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccccc2F)c2ccccc2c1=O
InChIInChI=1S/C17H14FN3O2/c1-2-21-17(23)12-8-4-3-7-11(12)15(20-21)16(22)19-14-10-6-5-9-13(14)18/h3-10H,2H2,1H3,(H,19,22)
InChIKeyHANDQZWBNDUYMN-UHFFFAOYSA-N
XLogP2.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 56516533
N-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7924369
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 56530654
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4,5-dimethoxybenzoate
CID 7742229
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 26516305
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979948
3-ethyl-N'-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 9087227
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7189884

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide (CID 4543224) is 3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)Nc2ccccc2F)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is HANDQZWBNDUYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-2-21-17(23)12-8-4-3-7-11(12)15(20-21)16(22)19-14-10-6-5-9-13(14)18/h3-10H,2H2,1H3,(H,19,22).
What are the key properties of 3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide?
3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4543224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).