N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide

C17H14FN3O2 — CID 18113901

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H14FN3O2/c1-21(10-11-5-4-6-12(18)9-11)17(23)15-13-7-2-3-8-14(13)16(22)20-19-15/h2-9H,10H2,1H3,(H,20,22)
InChIKeyCZVBIODAWHEOGV-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.33
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide

N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 18113901) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID18113901
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H14FN3O2/c1-21(10-11-5-4-6-12(18)9-11)17(23)15-13-7-2-3-8-14(13)16(22)20-19-15/h2-9H,10H2,1H3,(H,20,22)
InChIKeyCZVBIODAWHEOGV-UHFFFAOYSA-N
XLogP2.33
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785207
N-[(4-bromophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18111460
N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide
CID 27788102
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 24682450
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-[(3-fluorophenyl)methyl]-N,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 47087177
N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-3H-phthalazine-1-carboxamide
CID 64510670
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 78781512
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-methyl-N-(2-methylprop-2-enyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 115969083

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide (CID 18113901) is N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide is CN(Cc1cccc(F)c1)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is CZVBIODAWHEOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-21(10-11-5-4-6-12(18)9-11)17(23)15-13-7-2-3-8-14(13)16(22)20-19-15/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 18113901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).