2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide

C24H22N4O — CID 155524839

IUPAC2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide
SMILESCCc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2ccccc12
InChIInChI=1S/C24H22N4O/c1-2-17-7-3-4-8-19(17)23-20-9-5-6-10-21(20)24(28-27-23)26-18-13-11-16(12-14-18)15-22(25)29/h3-14H,2,15H2,1H3,(H2,25,29)(H,26,28)
InChIKeyRSTUZFBIEMDEFC-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.63
Rot. Bonds6

About 2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide

2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide (PubChem CID 155524839) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide
PubChem CID155524839
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide
SMILESCCc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2ccccc12
InChIInChI=1S/C24H22N4O/c1-2-17-7-3-4-8-19(17)23-20-9-5-6-10-21(20)24(28-27-23)26-18-13-11-16(12-14-18)15-22(25)29/h3-14H,2,15H2,1H3,(H2,25,29)(H,26,28)
InChIKeyRSTUZFBIEMDEFC-UHFFFAOYSA-N
XLogP4.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide (CID 155524839) is 2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide is CCc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2ccccc12.
What is the InChIKey of 2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
The InChIKey is RSTUZFBIEMDEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-17-7-3-4-8-19(17)23-20-9-5-6-10-21(20)24(28-27-23)26-18-13-11-16(12-14-18)15-22(25)29/h3-14H,2,15H2,1H3,(H2,25,29)(H,26,28).
What are the key properties of 2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide?
2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide has a molecular weight of 382.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-ethylphenyl)phthalazin-1-yl]amino]phenyl]acetamide is sourced from PubChem (CID 155524839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).