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

C27H18ClN3O2 — CID 6407169

IUPACN-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C27H18ClN3O2/c28-20-12-10-18(11-13-20)25-23-8-4-5-9-24(23)27(31-30-25)33-22-16-14-21(15-17-22)29-26(32)19-6-2-1-3-7-19/h1-17H,(H,29,32)
InChIKeyKITGNDOHNFJKOM-UHFFFAOYSA-N
MW451.91 g/mol
LogP6.99
Rot. Bonds5

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

N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide (PubChem CID 6407169) has the molecular formula C27H18ClN3O2 and a molecular weight of 451.91 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide
PubChem CID6407169
Molecular FormulaC27H18ClN3O2
Molecular Weight451.91 g/mol
Exact Mass451.11
IUPAC NameN-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C27H18ClN3O2/c28-20-12-10-18(11-13-20)25-23-8-4-5-9-24(23)27(31-30-25)33-22-16-14-21(15-17-22)29-26(32)19-6-2-1-3-7-19/h1-17H,(H,29,32)
InChIKeyKITGNDOHNFJKOM-UHFFFAOYSA-N
XLogP6.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.91
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 2900595
1-(4-chlorophenyl)-4-(4-methylphenoxy)phthalazine
CID 6407120
N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide
CID 2885356
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
3-methyl-N-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzamide
CID 24658495
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide
CID 14528232
N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide
CID 2885533
6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;N-[4-[4-chloro-5-cyano-6-(4-phenoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 157114726
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide
CID 158954250

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide (CID 6407169) is N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide is O=C(Nc1ccc(Oc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1)c1ccccc1.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide?
The InChIKey is KITGNDOHNFJKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN3O2/c28-20-12-10-18(11-13-20)25-23-8-4-5-9-24(23)27(31-30-25)33-22-16-14-21(15-17-22)29-26(32)19-6-2-1-3-7-19/h1-17H,(H,29,32).
What are the key properties of N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide?
N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide has a molecular weight of 451.91 g/mol, XLogP of 6.99, 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-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide is sourced from PubChem (CID 6407169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).