N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide

C23H18ClN3O2 — CID 9164757

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C23H18ClN3O2/c1-15(16-8-7-9-17(24)14-16)25-22(28)21-19-12-5-6-13-20(19)23(29)27(26-21)18-10-3-2-4-11-18/h2-15H,1H3,(H,25,28)/t15-/m1/s1
InChIKeyXJIQIDIBFGTDMD-OAHLLOKOSA-N
MW403.87 g/mol
LogP4.53
Rot. Bonds4

About N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 9164757) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID9164757
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C23H18ClN3O2/c1-15(16-8-7-9-17(24)14-16)25-22(28)21-19-12-5-6-13-20(19)23(29)27(26-21)18-10-3-2-4-11-18/h2-15H,1H3,(H,25,28)/t15-/m1/s1
InChIKeyXJIQIDIBFGTDMD-OAHLLOKOSA-N
XLogP4.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944572
4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
CID 51148760
4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-N-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46004399
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8936937
5-amino-1-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 40899499
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 18269661
N-[1-(3-chlorophenyl)ethyl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 18193496
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 18275042
4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide
CID 8733517
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
CID 27862617

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 9164757) is N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide is C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is XJIQIDIBFGTDMD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-15(16-8-7-9-17(24)14-16)25-22(28)21-19-12-5-6-13-20(19)23(29)27(26-21)18-10-3-2-4-11-18/h2-15H,1H3,(H,25,28)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 9164757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).