4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide

C19H19FN4O — CID 42690957

IUPAC4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide
SMILESCCN(C)c1nnc(C(=O)NCc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H19FN4O/c1-3-24(2)18-16-7-5-4-6-15(16)17(22-23-18)19(25)21-12-13-8-10-14(20)11-9-13/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKeySUQSGYTZTAAAHQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.15
Rot. Bonds5

About 4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide

4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide (PubChem CID 42690957) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide
PubChem CID42690957
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide
SMILESCCN(C)c1nnc(C(=O)NCc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H19FN4O/c1-3-24(2)18-16-7-5-4-6-15(16)17(22-23-18)19(25)21-12-13-8-10-14(20)11-9-13/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKeySUQSGYTZTAAAHQ-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-[(4-fluorophenyl)methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2592153
4-[ethyl(methyl)amino]-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 83282097
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
N-[(4-fluorophenyl)methyl]-3-(3-methylbutyl)-4-oxophthalazine-1-carboxamide
CID 4790762
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide
CID 35763898
N-[(4-fluorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257175
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide
CID 69239871
N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
CID 9046354
N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5308800

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide?
The IUPAC name of 4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide (CID 42690957) is 4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide is CCN(C)c1nnc(C(=O)NCc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide?
The InChIKey is SUQSGYTZTAAAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-3-24(2)18-16-7-5-4-6-15(16)17(22-23-18)19(25)21-12-13-8-10-14(20)11-9-13/h4-11H,3,12H2,1-2H3,(H,21,25).
What are the key properties of 4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide?
4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide is sourced from PubChem (CID 42690957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).