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

C18H16ClN3O3 — CID 27795601

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H16ClN3O3/c1-22(10-11-25-13-8-6-12(19)7-9-13)18(24)16-14-4-2-3-5-15(14)17(23)21-20-16/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyHOYCEGWQOOGZLH-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.73
Rot. Bonds5

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

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 27795601) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID27795601
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H16ClN3O3/c1-22(10-11-25-13-8-6-12(19)7-9-13)18(24)16-14-4-2-3-5-15(14)17(23)21-20-16/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyHOYCEGWQOOGZLH-UHFFFAOYSA-N
XLogP2.73
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18119662
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26893308
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78770446
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 4787427
N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 27795578
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 47074782
N-methyl-N-(2-methylprop-2-enyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 115969083
(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115593
N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-3H-phthalazine-1-carboxamide
CID 64510670
2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 7626394
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 24682450

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide (CID 27795601) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is HOYCEGWQOOGZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-22(10-11-25-13-8-6-12(19)7-9-13)18(24)16-14-4-2-3-5-15(14)17(23)21-20-16/h2-9H,10-11H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 27795601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).