N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide

C21H21N3O2 — CID 4811376

IUPACN-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(NC1CCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C21H21N3O2/c25-20(22-15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)21(26)24(23-19)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,25)
InChIKeyWDAHLQRGXAXVIL-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.45
Rot. Bonds3

About N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide

N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 4811376) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID4811376
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(NC1CCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C21H21N3O2/c25-20(22-15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)21(26)24(23-19)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,25)
InChIKeyWDAHLQRGXAXVIL-UHFFFAOYSA-N
XLogP3.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-4-oxo-3-phenylphthalazine-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

4-arylphthalazin-1(2H)-3,4-Di-F
CID 56835134
1(2H)-Phthalazinone, 2,4-diphenyl-
CID 676336
3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 970816
N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
4-Methyl-2-phenyl-2H-phthalazin-1-one
CID 245552
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
4-(anilinomethyl)-1(2H)-phthalazinone
CID 1482294
4-({3-[(4-Phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133279
N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71453773
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1290998
3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
CID 2714733

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide (CID 4811376) is N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide is O=C(NC1CCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is WDAHLQRGXAXVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(22-15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)21(26)24(23-19)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,25).
What are the key properties of N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide?
N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 4811376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).