4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide

C17H14FN3O2 — CID 90489941

IUPAC4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
SMILESCn1nc(CNC(=O)c2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H14FN3O2/c1-21-17(23)14-5-3-2-4-13(14)15(20-21)10-19-16(22)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyIFNRIKKOHBPMHM-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.00
Rot. Bonds3

About 4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide

4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide (PubChem CID 90489941) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
PubChem CID90489941
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
SMILESCn1nc(CNC(=O)c2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H14FN3O2/c1-21-17(23)14-5-3-2-4-13(14)15(20-21)10-19-16(22)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyIFNRIKKOHBPMHM-UHFFFAOYSA-N
XLogP2.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfanyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 166348988
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
CID 90489965
1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
CID 90490062
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90489856
2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489934
5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide
CID 90490004
3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide
CID 90490047
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90490028
5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90489886

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide (CID 90489941) is 4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide is Cn1nc(CNC(=O)c2ccc(F)cc2)c2ccccc2c1=O.
What is the InChIKey of 4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
The InChIKey is IFNRIKKOHBPMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-21-17(23)14-5-3-2-4-13(14)15(20-21)10-19-16(22)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide has a molecular weight of 311.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide is sourced from PubChem (CID 90489941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).