2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C27H26FN5O — CID 141339870

IUPAC2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C27H26FN5O/c28-21-10-12-22(13-11-21)29-26(34)19-32-14-16-33(17-15-32)27-24-9-5-4-8-23(24)25(30-31-27)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,29,34)
InChIKeyYBYIQQQDNLPCDW-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.12
Rot. Bonds6

About 2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 141339870) has the molecular formula C27H26FN5O and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID141339870
Molecular FormulaC27H26FN5O
Molecular Weight455.54 g/mol
Exact Mass455.21
IUPAC Name2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C27H26FN5O/c28-21-10-12-22(13-11-21)29-26(34)19-32-14-16-33(17-15-32)27-24-9-5-4-8-23(24)25(30-31-27)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,29,34)
InChIKeyYBYIQQQDNLPCDW-UHFFFAOYSA-N
XLogP4.12
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 46856173
2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 46854081
N-(5-fluoro-2-methylphenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
CID 46855899
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29166438
4-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]benzoic acid
CID 25066931
N-(3-bromophenyl)-2-[4-[4-(2-pyridin-4-ylethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
CID 141339862
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]acetamide
CID 2697480
N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8719101
2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 133451787
N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
CID 127036821

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 141339870) is 2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is YBYIQQQDNLPCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O/c28-21-10-12-22(13-11-21)29-26(34)19-32-14-16-33(17-15-32)27-24-9-5-4-8-23(24)25(30-31-27)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,29,34).
What are the key properties of 2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 455.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 141339870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).