N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide

C24H20ClN3O3 — CID 26893308

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C24H20ClN3O3/c1-27(15-16-31-19-13-11-17(25)12-14-19)24(30)22-20-9-5-6-10-21(20)23(29)28(26-22)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyFGOHRCZZULKSLB-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.19
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 26893308) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID26893308
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C24H20ClN3O3/c1-27(15-16-31-19-13-11-17(25)12-14-19)24(30)22-20-9-5-6-10-21(20)23(29)28(26-22)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyFGOHRCZZULKSLB-UHFFFAOYSA-N
XLogP4.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78770446
3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
CID 2805926
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27795601
1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
CID 24546553
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 27795578
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 31284852
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 27955221
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2086576
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55593523
N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26904232
N-[2-(2,6-dimethylphenoxy)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55724601

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide (CID 26893308) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is FGOHRCZZULKSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-27(15-16-31-19-13-11-17(25)12-14-19)24(30)22-20-9-5-6-10-21(20)23(29)28(26-22)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 26893308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).