4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide

C26H25N3O — CID 67020506

IUPAC4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1-c1ccc2c(-c3ccccc3C)nncc2c1
InChIInChI=1S/C26H25N3O/c1-16(2)28-26(30)20-10-9-18(4)24(14-20)19-11-12-23-21(13-19)15-27-29-25(23)22-8-6-5-7-17(22)3/h5-16H,1-4H3,(H,28,30)
InChIKeyUHPPHYCCYCCUAH-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.72
Rot. Bonds4

About 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide

4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide (PubChem CID 67020506) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide
PubChem CID67020506
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1-c1ccc2c(-c3ccccc3C)nncc2c1
InChIInChI=1S/C26H25N3O/c1-16(2)28-26(30)20-10-9-18(4)24(14-20)19-11-12-23-21(13-19)15-27-29-25(23)22-8-6-5-7-17(22)3/h5-16H,1-4H3,(H,28,30)
InChIKeyUHPPHYCCYCCUAH-UHFFFAOYSA-N
XLogP5.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
CID 67020477
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848510
4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide
CID 11848250
3-[1-[2,4-bis(trifluoromethyl)phenyl]phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848989
3-(1-chlorophthalazin-6-yl)-4-methylbenzoic acid
CID 25194078
4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide
CID 25234536
3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675486
4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide
CID 24855644
N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide
CID 143640307
2-[1-(2-methylphenyl)phthalazin-6-yl]oxybenzoic acid
CID 90370817
4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide
CID 24854836
tert-butyl 4-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11848248

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide (CID 67020506) is 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide is Cc1ccc(C(=O)NC(C)C)cc1-c1ccc2c(-c3ccccc3C)nncc2c1.
What is the InChIKey of 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide?
The InChIKey is UHPPHYCCYCCUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-16(2)28-26(30)20-10-9-18(4)24(14-20)19-11-12-23-21(13-19)15-27-29-25(23)22-8-6-5-7-17(22)3/h5-16H,1-4H3,(H,28,30).
What are the key properties of 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide?
4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide has a molecular weight of 395.51 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 67020506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).