N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide

C25H21N3O — CID 11848567

IUPACN-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3)nncc2c1
InChIInChI=1S/C25H21N3O/c1-16-7-8-19(25(29)27-21-10-11-21)14-23(16)18-9-12-22-20(13-18)15-26-28-24(22)17-5-3-2-4-6-17/h2-9,12-15,21H,10-11H2,1H3,(H,27,29)
InChIKeyLQXUFIFTFVOCHC-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.16
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide

N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide (PubChem CID 11848567) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide
PubChem CID11848567
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC NameN-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3)nncc2c1
InChIInChI=1S/C25H21N3O/c1-16-7-8-19(25(29)27-21-10-11-21)14-23(16)18-9-12-22-20(13-18)15-26-28-24(22)17-5-3-2-4-6-17/h2-9,12-15,21H,10-11H2,1H3,(H,27,29)
InChIKeyLQXUFIFTFVOCHC-UHFFFAOYSA-N
XLogP5.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-methyl-3-(1-(2-methylphenyl)phthalazin-6-yl)benzamide
CID 24941253
N-cyclopropyl-3-(1-(2-fluorophenyl)phthalazin-6-yl)-4-methylbenzamide
CID 11848506
N-cyclopropyl-3-(8-(2,4-difluorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido(3,2-d)pyridazin-3-yl)-4-methylbenzamide
CID 46182955
N-Cyclopropyl-3-(8-(2,4-difluorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-5-fluoro-4-methylbenzamide
CID 46182957
4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinoline-6-carboxylic acid cyclopropylamide
CID 118660612
N-(4-Dimethylaminomethyl-3-trifluoromethyl-Phenyl)-4-methyl-3-phthalazin-6-yl-benzamide
CID 11510996
N-(4-methyl-3-phthalazin-6-ylphenyl)-4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide
CID 11605826
4-Methyl-3-phthalazin-6-yl-N-(4-piperidin-1-ylmethyl-3-trifluoromethyl-phenyl)benzamide
CID 11605827
4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11654390
N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide
CID 11697155
4-Methyl-3-phthalazin-6-yl-N-(4-pyrrolidin-1-ylmethyl-3-trifluoromethyl-phenyl)benzamide
CID 11698830
4-Dimethylaminomethyl-N-(4-methyl-3-phthalazin-6-yl-phenyl)-3-trifluoromethyl-benzamide
CID 11719630

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide (CID 11848567) is N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3)nncc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide?
The InChIKey is LQXUFIFTFVOCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-16-7-8-19(25(29)27-21-10-11-21)14-23(16)18-9-12-22-20(13-18)15-26-28-24(22)17-5-3-2-4-6-17/h2-9,12-15,21H,10-11H2,1H3,(H,27,29).
What are the key properties of N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide?
N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-(1-phenylphthalazin-6-yl)benzamide is sourced from PubChem (CID 11848567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).