N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide

C19H18ClN3O2 — CID 166201763

IUPACN-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c1-2-11-23(14-9-7-13(20)8-10-14)18(24)12-17-15-5-3-4-6-16(15)19(25)22-21-17/h3-10H,2,11-12H2,1H3,(H,22,25)
InChIKeyHJASOBUQGSSYCM-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.56
Rot. Bonds5

About N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide

N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide (PubChem CID 166201763) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
PubChem CID166201763
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c1-2-11-23(14-9-7-13(20)8-10-14)18(24)12-17-15-5-3-4-6-16(15)19(25)22-21-17/h3-10H,2,11-12H2,1H3,(H,22,25)
InChIKeyHJASOBUQGSSYCM-UHFFFAOYSA-N
XLogP3.56
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8853304
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 110245433
N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 166201758
2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]-N,N-dipropylbenzamide
CID 134297763
butyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 14645870
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
2-(4-chlorophenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 7626394
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9119889
N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide
CID 155947206
2-(2,5-dichlorophenyl)sulfanylethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7542347
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789921

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide (CID 166201763) is N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide is CCCN(C(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
The InChIKey is HJASOBUQGSSYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-2-11-23(14-9-7-13(20)8-10-14)18(24)12-17-15-5-3-4-6-16(15)19(25)22-21-17/h3-10H,2,11-12H2,1H3,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide has a molecular weight of 355.83 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide is sourced from PubChem (CID 166201763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).