N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide

C23H18ClN3O2 — CID 2086576

IUPACN-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H18ClN3O2/c24-17-12-10-16(11-13-17)14-15-25-22(28)21-19-8-4-5-9-20(19)23(29)27(26-21)18-6-2-1-3-7-18/h1-13H,14-15H2,(H,25,28)
InChIKeyVXKPSFSOLQEPIG-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 2086576) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID2086576
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H18ClN3O2/c24-17-12-10-16(11-13-17)14-15-25-22(28)21-19-8-4-5-9-20(19)23(29)27(26-21)18-6-2-1-3-7-18/h1-13H,14-15H2,(H,25,28)
InChIKeyVXKPSFSOLQEPIG-UHFFFAOYSA-N
XLogP4.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 26516305
3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
CID 2805931
4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide
CID 46652657
4-oxo-N-pentyl-3-phenylphthalazine-1-carboxamide
CID 7779349
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 44773550
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
N-[2-(2,6-dimethylphenoxy)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55724601
3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
CID 2805926
3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9403171
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9241793

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 2086576) is N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is VXKPSFSOLQEPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-17-12-10-16(11-13-17)14-15-25-22(28)21-19-8-4-5-9-20(19)23(29)27(26-21)18-6-2-1-3-7-18/h1-13H,14-15H2,(H,25,28).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 2086576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).