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

C28H21N3O3 — CID 2900595

IUPACN-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide
SMILESCOc1ccc(-c2nnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H21N3O3/c1-33-22-15-11-19(12-16-22)26-24-9-5-6-10-25(24)28(31-30-26)34-23-17-13-21(14-18-23)29-27(32)20-7-3-2-4-8-20/h2-18H,1H3,(H,29,32)
InChIKeyXFVHYYJJOAADFP-UHFFFAOYSA-N
MW447.49 g/mol
LogP6.35
Rot. Bonds6

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

N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide (PubChem CID 2900595) has the molecular formula C28H21N3O3 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide
PubChem CID2900595
Molecular FormulaC28H21N3O3
Molecular Weight447.49 g/mol
Exact Mass447.16
IUPAC NameN-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide
SMILESCOc1ccc(-c2nnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H21N3O3/c1-33-22-15-11-19(12-16-22)26-24-9-5-6-10-25(24)28(31-30-26)34-23-17-13-21(14-18-23)29-27(32)20-7-3-2-4-8-20/h2-18H,1H3,(H,29,32)
InChIKeyXFVHYYJJOAADFP-UHFFFAOYSA-N
XLogP6.35
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 6407169
N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide
CID 2885533
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide
CID 24658495
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide
CID 14528232

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The IUPAC name of N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide (CID 2900595) is N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide.
What is the SMILES notation for N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The canonical SMILES for N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide is COc1ccc(-c2nnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The InChIKey is XFVHYYJJOAADFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O3/c1-33-22-15-11-19(12-16-22)26-24-9-5-6-10-25(24)28(31-30-26)34-23-17-13-21(14-18-23)29-27(32)20-7-3-2-4-8-20/h2-18H,1H3,(H,29,32).
What are the key properties of N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide?
N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide has a molecular weight of 447.49 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide is sourced from PubChem (CID 2900595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).