N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide

C19H18ClN3O4 — CID 27795578

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C19H18ClN3O4/c1-22(10-11-27-14-8-6-13(20)7-9-14)17(24)12-23-19(26)16-5-3-2-4-15(16)18(25)21-23/h2-9H,10-12H2,1H3,(H,21,25)
InChIKeyWIQMNJLEPRBODQ-UHFFFAOYSA-N
MW387.82 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide

N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide (PubChem CID 27795578) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
PubChem CID27795578
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C19H18ClN3O4/c1-22(10-11-27-14-8-6-13(20)7-9-14)17(24)12-23-19(26)16-5-3-2-4-15(16)18(25)21-23/h2-9H,10-12H2,1H3,(H,21,25)
InChIKeyWIQMNJLEPRBODQ-UHFFFAOYSA-N
XLogP1.88
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide
CID 39169946
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethyl-N-methylacetamide
CID 134023520
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 86833526
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27795601
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26893308
N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 17485630
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78770446
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 30279170
N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 55537248
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide
CID 112792657
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide (CID 27795578) is N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide is CN(CCOc1ccc(Cl)cc1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide?
The InChIKey is WIQMNJLEPRBODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-22(10-11-27-14-8-6-13(20)7-9-14)17(24)12-23-19(26)16-5-3-2-4-15(16)18(25)21-23/h2-9H,10-12H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide has a molecular weight of 387.82 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide is sourced from PubChem (CID 27795578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).