2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide

C25H23ClN4O3 — CID 121049255

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nn(Cc2ccccn2)c(=O)c2ccccc12
InChIInChI=1S/C25H23ClN4O3/c1-25(2,33-19-12-10-17(26)11-13-19)24(32)28-15-22-20-8-3-4-9-21(20)23(31)30(29-22)16-18-7-5-6-14-27-18/h3-14H,15-16H2,1-2H3,(H,28,32)
InChIKeyCJAVKYAXTKDSKQ-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.97
Rot. Bonds7

About 2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide (PubChem CID 121049255) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide
PubChem CID121049255
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nn(Cc2ccccn2)c(=O)c2ccccc12
InChIInChI=1S/C25H23ClN4O3/c1-25(2,33-19-12-10-17(26)11-13-19)24(32)28-15-22-20-8-3-4-9-21(20)23(31)30(29-22)16-18-7-5-6-14-27-18/h3-14H,15-16H2,1-2H3,(H,28,32)
InChIKeyCJAVKYAXTKDSKQ-UHFFFAOYSA-N
XLogP3.97
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide
CID 166280535
1-tert-butyl-3-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049375
ethyl N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]carbamate
CID 121049296
2-(2-chlorophenyl)-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]acetamide
CID 121049320
1-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-3-propan-2-ylurea
CID 121049412
1-(4-butoxyphenyl)-3-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049418
5-chloro-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]thiophene-2-carboxamide
CID 121049360
2-(4-chlorophenoxy)-2-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propanamide
CID 55714646
2-benzoyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]benzamide
CID 121049142
(E)-3-(2-chlorophenyl)-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]prop-2-enamide
CID 121049128
3,4-diethoxy-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]benzamide
CID 121049211
2-benzylsulfanyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]acetamide
CID 121049267

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide (CID 121049255) is 2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nn(Cc2ccccn2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide?
The InChIKey is CJAVKYAXTKDSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-25(2,33-19-12-10-17(26)11-13-19)24(32)28-15-22-20-8-3-4-9-21(20)23(31)30(29-22)16-18-7-5-6-14-27-18/h3-14H,15-16H2,1-2H3,(H,28,32).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide has a molecular weight of 462.94 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]propanamide is sourced from PubChem (CID 121049255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).