N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide

C28H21N3O2 — CID 6402455

IUPACN-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide
SMILESCc1ccc(-c2nnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H21N3O2/c1-19-11-13-20(14-12-19)26-24-9-5-6-10-25(24)28(31-30-26)33-23-17-15-22(16-18-23)29-27(32)21-7-3-2-4-8-21/h2-18H,1H3,(H,29,32)
InChIKeyUZQPBZSYCYMHDN-UHFFFAOYSA-N
MW431.50 g/mol
LogP6.65
Rot. Bonds5

About N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide

N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide (PubChem CID 6402455) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide
PubChem CID6402455
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC NameN-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide
SMILESCc1ccc(-c2nnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H21N3O2/c1-19-11-13-20(14-12-19)26-24-9-5-6-10-25(24)28(31-30-26)33-23-17-15-22(16-18-23)29-27(32)21-7-3-2-4-8-21/h2-18H,1H3,(H,29,32)
InChIKeyUZQPBZSYCYMHDN-UHFFFAOYSA-N
XLogP6.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10135552
4-{4-[(4-Methoxyphenyl)amino]phthalazin-1-yl}benzamide
CID 1391316
N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide
CID 2902544
N-[5-(4-methoxy-1-phthalazinyl)-2-(4-morpholinyl)phenyl]-4-methylbenzamide
CID 2945880
2,2-Dimethyl-3-[6-[2-methyl-4-(naphthalene-2-carbonylamino)phenyl]pyridazin-3-yl]oxypropanoic acid
CID 57397282
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]benzamide
CID 6407400
3-phenyl-N-[4-(trifluoromethoxy)phenyl]cinnoline-4-carboxamide
CID 2822747
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]-4-methylbenzamide
CID 6407054
2-methoxy-N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 6409422
N-tert-butyl-4-(4-(4-(chlorodifluoromethoxy)phenylamino)phthalazin-1-yl)benzamide
CID 5292025
Acetamide, N-[4-(4-methyl-1-phthalazinyloxy)phenyl]-
CID 626209
4-(4-(4-(Benzyloxy)phenylamino)phthalazin-1-yl)benzamide
CID 5298699

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The IUPAC name of N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide (CID 6402455) is N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide.
What is the SMILES notation for N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The canonical SMILES for N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide is Cc1ccc(-c2nnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The InChIKey is UZQPBZSYCYMHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2/c1-19-11-13-20(14-12-19)26-24-9-5-6-10-25(24)28(31-30-26)33-23-17-15-22(16-18-23)29-27(32)21-7-3-2-4-8-21/h2-18H,1H3,(H,29,32).
What are the key properties of N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide has a molecular weight of 431.50 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]benzamide is sourced from PubChem (CID 6402455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).