N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide

C25H20FN3O — CID 11848506

IUPACN-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3F)nncc2c1
InChIInChI=1S/C25H20FN3O/c1-15-6-7-17(25(30)28-19-9-10-19)13-22(15)16-8-11-20-18(12-16)14-27-29-24(20)21-4-2-3-5-23(21)26/h2-8,11-14,19H,9-10H2,1H3,(H,28,30)
InChIKeyWAKUIUNRDNSMQR-UHFFFAOYSA-N
MW397.45 g/mol
LogP5.30
Rot. Bonds4

About N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide (PubChem CID 11848506) has the molecular formula C25H20FN3O and a molecular weight of 397.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide
PubChem CID11848506
Molecular FormulaC25H20FN3O
Molecular Weight397.45 g/mol
Exact Mass397.16
IUPAC NameN-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3F)nncc2c1
InChIInChI=1S/C25H20FN3O/c1-15-6-7-17(25(30)28-19-9-10-19)13-22(15)16-8-11-20-18(12-16)14-27-29-24(20)21-4-2-3-5-23(21)26/h2-8,11-14,19H,9-10H2,1H3,(H,28,30)
InChIKeyWAKUIUNRDNSMQR-UHFFFAOYSA-N
XLogP5.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 55.30
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-4-methyl-3-(1-phenyl-6-phthalazinyl)benzamide
CID 11848567
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
3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N,4-dimethylbenzamide
CID 46184147
3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
CID 46930726
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide (CID 11848506) is N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3F)nncc2c1.
What is the InChIKey of N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide?
The InChIKey is WAKUIUNRDNSMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O/c1-15-6-7-17(25(30)28-19-9-10-19)13-22(15)16-8-11-20-18(12-16)14-27-29-24(20)21-4-2-3-5-23(21)26/h2-8,11-14,19H,9-10H2,1H3,(H,28,30).
What are the key properties of N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide has a molecular weight of 397.45 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2-fluorophenyl)phthalazin-6-yl]-4-methylbenzamide is sourced from PubChem (CID 11848506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).