N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C18H16ClN3O2 — CID 17416824

IUPACN-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-11(12-6-4-5-9-15(12)19)20-17(23)10-16-13-7-2-3-8-14(13)18(24)22-21-16/h2-9,11H,10H2,1H3,(H,20,23)(H,22,24)
InChIKeyQKJWYFZTFNCGKA-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.00
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 17416824) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID17416824
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-11(12-6-4-5-9-15(12)19)20-17(23)10-16-13-7-2-3-8-14(13)18(24)22-21-16/h2-9,11H,10H2,1H3,(H,20,23)(H,22,24)
InChIKeyQKJWYFZTFNCGKA-UHFFFAOYSA-N
XLogP3.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 27770013
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 42957552
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9115423
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46432138
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9117000
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 45371525
(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid
CID 133269517
N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide
CID 171138517

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 17416824) is N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CC(NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is QKJWYFZTFNCGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11(12-6-4-5-9-15(12)19)20-17(23)10-16-13-7-2-3-8-14(13)18(24)22-21-16/h2-9,11H,10H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 17416824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).