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

C25H20ClN3O — CID 11848510

IUPAC3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccc(Cl)cc3)nncc2c1
InChIInChI=1S/C25H20ClN3O/c1-15-2-3-18(25(30)28-21-9-10-21)13-23(15)17-6-11-22-19(12-17)14-27-29-24(22)16-4-7-20(26)8-5-16/h2-8,11-14,21H,9-10H2,1H3,(H,28,30)
InChIKeyHMVBAYHCXXZVLP-UHFFFAOYSA-N
MW413.91 g/mol
LogP5.82
Rot. Bonds4

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

3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 11848510) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID11848510
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC Name3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccc(Cl)cc3)nncc2c1
InChIInChI=1S/C25H20ClN3O/c1-15-2-3-18(25(30)28-21-9-10-21)13-23(15)17-6-11-22-19(12-17)14-27-29-24(22)16-4-7-20(26)8-5-16/h2-8,11-14,21H,9-10H2,1H3,(H,28,30)
InChIKeyHMVBAYHCXXZVLP-UHFFFAOYSA-N
XLogP5.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2,4-bis(trifluoromethyl)phenyl]phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848989
2-tert-butyl-4-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 90370798
tert-butyl 4-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11848248
3-(1-chlorophthalazin-6-yl)-4-methylbenzoic acid
CID 25194078
4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide
CID 67020506
N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
CID 11660998
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
CID 71211058
3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
CID 67020477
3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675486
N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
CID 25016855
N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
CID 142855177
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide (CID 11848510) is 3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccc(Cl)cc3)nncc2c1.
What is the InChIKey of 3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is HMVBAYHCXXZVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O/c1-15-2-3-18(25(30)28-21-9-10-21)13-23(15)17-6-11-22-19(12-17)14-27-29-24(22)16-4-7-20(26)8-5-16/h2-8,11-14,21H,9-10H2,1H3,(H,28,30).
What are the key properties of 3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 413.91 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 11848510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).