4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide

C27H26ClN5O — CID 42690916

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc12
InChIInChI=1S/C27H26ClN5O/c28-21-9-6-10-22(19-21)32-15-17-33(18-16-32)26-24-12-5-4-11-23(24)25(30-31-26)27(34)29-14-13-20-7-2-1-3-8-20/h1-12,19H,13-18H2,(H,29,34)
InChIKeyKHVWMAKQIBBVJT-UHFFFAOYSA-N
MW471.99 g/mol
LogP4.58
Rot. Bonds6

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide (PubChem CID 42690916) has the molecular formula C27H26ClN5O and a molecular weight of 471.99 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide
PubChem CID42690916
Molecular FormulaC27H26ClN5O
Molecular Weight471.99 g/mol
Exact Mass471.18
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc12
InChIInChI=1S/C27H26ClN5O/c28-21-9-6-10-22(19-21)32-15-17-33(18-16-32)26-24-12-5-4-11-23(24)25(30-31-26)27(34)29-14-13-20-7-2-1-3-8-20/h1-12,19H,13-18H2,(H,29,34)
InChIKeyKHVWMAKQIBBVJT-UHFFFAOYSA-N
XLogP4.58
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide
CID 42690921
4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 42690720
N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690640
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]phthalazine-1-carboxamide
CID 93009657
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide
CID 42690850
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine
CID 20875710
N-(2-phenoxyethyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690654
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-2-oxoacetamide
CID 108503184
N-[(3-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690905
4-(4-benzylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)phthalazine-1-carboxamide
CID 42878260

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide (CID 42690916) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide is O=C(NCCc1ccccc1)c1nnc(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc12.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide?
The InChIKey is KHVWMAKQIBBVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O/c28-21-9-6-10-22(19-21)32-15-17-33(18-16-32)26-24-12-5-4-11-23(24)25(30-31-26)27(34)29-14-13-20-7-2-1-3-8-20/h1-12,19H,13-18H2,(H,29,34).
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide?
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide has a molecular weight of 471.99 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 42690916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).