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

C21H23FN4O2 — CID 110245433

IUPACN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCN(C)CCN(Cc1ccccc1F)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C21H23FN4O2/c1-25(2)11-12-26(14-15-7-3-6-10-18(15)22)20(27)13-19-16-8-4-5-9-17(16)21(28)24-23-19/h3-10H,11-14H2,1-2H3,(H,24,28)
InChIKeyABYRDDSMJOIVBV-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.20
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 110245433) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID110245433
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCN(C)CCN(Cc1ccccc1F)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C21H23FN4O2/c1-25(2)11-12-26(14-15-7-3-6-10-18(15)22)20(27)13-19-16-8-4-5-9-17(16)21(28)24-23-19/h3-10H,11-14H2,1-2H3,(H,24,28)
InChIKeyABYRDDSMJOIVBV-UHFFFAOYSA-N
XLogP2.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 166201763
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55980382
2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 166184628
4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562661
N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 16673637
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17401113
N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 166201758
4-[(N-methylanilino)methyl]-2H-phthalazin-1-one
CID 1482312
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 16673658
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789921
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
CID 78811483

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 110245433) is N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CN(C)CCN(Cc1ccccc1F)C(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is ABYRDDSMJOIVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-25(2)11-12-26(14-15-7-3-6-10-18(15)22)20(27)13-19-16-8-4-5-9-17(16)21(28)24-23-19/h3-10H,11-14H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 382.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 110245433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).