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

C18H15F2N3O3 — CID 55537248

IUPACN-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C18H15F2N3O3/c1-22(9-11-6-7-12(19)8-15(11)20)16(24)10-23-18(26)14-5-3-2-4-13(14)17(25)21-23/h2-8H,9-10H2,1H3,(H,21,25)
InChIKeyJPZXROSQXDOUKK-UHFFFAOYSA-N
MW359.33 g/mol
LogP1.63
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide (PubChem CID 55537248) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
PubChem CID55537248
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C18H15F2N3O3/c1-22(9-11-6-7-12(19)8-15(11)20)16(24)10-23-18(26)14-5-3-2-4-13(14)17(25)21-23/h2-8H,9-10H2,1H3,(H,21,25)
InChIKeyJPZXROSQXDOUKK-UHFFFAOYSA-N
XLogP1.63
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethyl-N-methylacetamide
CID 134023520
N-[(4-bromophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 9416461
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 86833526
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 26959350
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
(2-chloro-4-fluorophenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 42967396
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 38227244
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38227876
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 9417568
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137278099
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 40709624

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide (CID 55537248) is N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide is CN(Cc1ccc(F)cc1F)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide?
The InChIKey is JPZXROSQXDOUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-22(9-11-6-7-12(19)8-15(11)20)16(24)10-23-18(26)14-5-3-2-4-13(14)17(25)21-23/h2-8H,9-10H2,1H3,(H,21,25).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide?
N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide has a molecular weight of 359.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide is sourced from PubChem (CID 55537248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).