N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide

C22H22Cl2N4O3 — CID 60602231

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C22H22Cl2N4O3/c1-3-10-27(12-20(29)25-19-11-15(23)8-9-18(19)24)21(30)13-28-22(31)17-7-5-4-6-16(17)14(2)26-28/h4-9,11H,3,10,12-13H2,1-2H3,(H,25,29)
InChIKeyTVWVDISTYJYIMD-UHFFFAOYSA-N
MW461.35 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide (PubChem CID 60602231) has the molecular formula C22H22Cl2N4O3 and a molecular weight of 461.35 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide
PubChem CID60602231
Molecular FormulaC22H22Cl2N4O3
Molecular Weight461.35 g/mol
Exact Mass460.11
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C22H22Cl2N4O3/c1-3-10-27(12-20(29)25-19-11-15(23)8-9-18(19)24)21(30)13-28-22(31)17-7-5-4-6-16(17)14(2)26-28/h4-9,11H,3,10,12-13H2,1-2H3,(H,25,29)
InChIKeyTVWVDISTYJYIMD-UHFFFAOYSA-N
XLogP3.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide
CID 55666998
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2506129
N-(2,5-dichlorophenyl)-2-[[2-(2-methoxyethoxy)acetyl]-propylamino]acetamide
CID 78797414

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide (CID 60602231) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide?
The InChIKey is TVWVDISTYJYIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O3/c1-3-10-27(12-20(29)25-19-11-15(23)8-9-18(19)24)21(30)13-28-22(31)17-7-5-4-6-16(17)14(2)26-28/h4-9,11H,3,10,12-13H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide has a molecular weight of 461.35 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide is sourced from PubChem (CID 60602231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).