(2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide

C23H22ClN3O2 — CID 40640849

IUPAC(2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2
InChIInChI=1S/C23H22ClN3O2/c1-15(22(28)25-18-13-11-17(24)12-14-18)27-23(29)20-10-6-5-9-19(20)21(26-27)16-7-3-2-4-8-16/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeySBBNAKZETNPSPA-OAHLLOKOSA-N
MW407.90 g/mol
LogP4.64
Rot. Bonds4

About (2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide

(2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide (PubChem CID 40640849) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
PubChem CID40640849
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name(2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2
InChIInChI=1S/C23H22ClN3O2/c1-15(22(28)25-18-13-11-17(24)12-14-18)27-23(29)20-10-6-5-9-19(20)21(26-27)16-7-3-2-4-8-16/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeySBBNAKZETNPSPA-OAHLLOKOSA-N
XLogP4.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 28622973
N-(2-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 46262991
(2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 40640857
(2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide
CID 92735359
(2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
CID 28622922
methyl 4-[2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanoylamino]benzoate
CID 25249803
N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 46263020
N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 23608913
N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 50752081
(2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
CID 92735258
N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079706
N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 11291808

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide (CID 40640849) is (2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide is C[C@H](C(=O)Nc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
The InChIKey is SBBNAKZETNPSPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-15(22(28)25-18-13-11-17(24)12-14-18)27-23(29)20-10-6-5-9-19(20)21(26-27)16-7-3-2-4-8-16/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H,25,28)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
(2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide has a molecular weight of 407.90 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide is sourced from PubChem (CID 40640849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).