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

C17H14ClN3O2 — CID 7733216

IUPACN-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccccc2Cl)c2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O2/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)
InChIKeyTYSGCSYQJUPZHD-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.32
Rot. Bonds3

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

N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide (PubChem CID 7733216) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
PubChem CID7733216
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)Nc2ccccc2Cl)c2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O2/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)
InChIKeyTYSGCSYQJUPZHD-UHFFFAOYSA-N
XLogP3.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-3-ethyl-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-(4-bromo-2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7924369
3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 4543224
N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2506129
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 56530654
N-(4-carbamoyl-3-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55611056
3-butyl-N-(2-chloro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 8885989
N-(2-chloro-4-methylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 2572654
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 56516533
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
3-[2-(2-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2351837
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4,5-dimethoxybenzoate
CID 7742229

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide (CID 7733216) is N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)Nc2ccccc2Cl)c2ccccc2c1=O.
What is the InChIKey of N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is TYSGCSYQJUPZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/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 N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide?
N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 7733216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).