N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide

C22H16ClN3O2 — CID 2885356

IUPACN-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nnc(-c3ccc(Cl)cc3)c3ccccc23)c1
InChIInChI=1S/C22H16ClN3O2/c1-14(27)24-17-5-4-6-18(13-17)28-22-20-8-3-2-7-19(20)21(25-26-22)15-9-11-16(23)12-10-15/h2-13H,1H3,(H,24,27)
InChIKeyRQZRLQUQMMCHKU-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.70
Rot. Bonds4

About N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide

N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide (PubChem CID 2885356) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide
PubChem CID2885356
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC NameN-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nnc(-c3ccc(Cl)cc3)c3ccccc23)c1
InChIInChI=1S/C22H16ClN3O2/c1-14(27)24-17-5-4-6-18(13-17)28-22-20-8-3-2-7-19(20)21(25-26-22)15-9-11-16(23)12-10-15/h2-13H,1H3,(H,24,27)
InChIKeyRQZRLQUQMMCHKU-UHFFFAOYSA-N
XLogP5.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide
CID 2885533
N-[4-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 6407169
N-(3-phthalazin-1-yloxyphenyl)acetamide
CID 6410691
N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide
CID 42582682
3-[4-(3,4-dimethylphenyl)phthalazin-1-yl]oxybenzoate
CID 7109213
1-(3-fluorophenoxy)-4-phenylphthalazine
CID 22011922
N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide
CID 26189302
1-(4-chlorophenyl)-4-ethoxyphthalazine
CID 6401671
1-[3-(4-chlorophthalazin-1-yl)oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 155810717
N-[3-[2-(2-fluorophenyl)quinazolin-4-yl]oxyphenyl]acetamide
CID 2929675
N-(3-naphthalen-2-yloxyphenyl)acetamide
CID 71156920
N-[3-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxyphenyl]acetamide
CID 8852798

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide?
The IUPAC name of N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide (CID 2885356) is N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide is CC(=O)Nc1cccc(Oc2nnc(-c3ccc(Cl)cc3)c3ccccc23)c1.
What is the InChIKey of N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide?
The InChIKey is RQZRLQUQMMCHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-14(27)24-17-5-4-6-18(13-17)28-22-20-8-3-2-7-19(20)21(25-26-22)15-9-11-16(23)12-10-15/h2-13H,1H3,(H,24,27).
What are the key properties of N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide?
N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide has a molecular weight of 389.84 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide is sourced from PubChem (CID 2885356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).