4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide

C25H22FN5O — CID 42878251

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc12
InChIInChI=1S/C25H22FN5O/c26-21-12-6-7-13-22(21)30-14-16-31(17-15-30)24-20-11-5-4-10-19(20)23(28-29-24)25(32)27-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,27,32)
InChIKeyVJKGYSMQFURJDG-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.35
Rot. Bonds4

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide

4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide (PubChem CID 42878251) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide
PubChem CID42878251
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc12
InChIInChI=1S/C25H22FN5O/c26-21-12-6-7-13-22(21)30-14-16-31(17-15-30)24-20-11-5-4-10-19(20)23(28-29-24)25(32)27-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,27,32)
InChIKeyVJKGYSMQFURJDG-UHFFFAOYSA-N
XLogP4.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide
CID 42690680
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]phthalazine-1-carboxamide
CID 42878256
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 42878379
N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690640
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide
CID 42690850
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide
CID 42690854
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide
CID 42878384
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylpropanamide
CID 4742313
methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
CID 6418780
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide (CID 42878251) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide is O=C(Nc1ccccc1)c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc12.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide?
The InChIKey is VJKGYSMQFURJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c26-21-12-6-7-13-22(21)30-14-16-31(17-15-30)24-20-11-5-4-10-19(20)23(28-29-24)25(32)27-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,27,32).
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide?
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 42878251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).