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

C22H24FN3O2 — CID 78781512

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)N(C)Cc2cccc(F)c2)c2ccccc2c1=O
InChIInChI=1S/C22H24FN3O2/c1-3-4-7-13-26-21(27)19-12-6-5-11-18(19)20(24-26)22(28)25(2)15-16-9-8-10-17(23)14-16/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3
InChIKeyHTNOFXQSMOJNQZ-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.00
Rot. Bonds7

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

N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide (PubChem CID 78781512) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide
PubChem CID78781512
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)N(C)Cc2cccc(F)c2)c2ccccc2c1=O
InChIInChI=1S/C22H24FN3O2/c1-3-4-7-13-26-21(27)19-12-6-5-11-18(19)20(24-26)22(28)25(2)15-16-9-8-10-17(23)14-16/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3
InChIKeyHTNOFXQSMOJNQZ-UHFFFAOYSA-N
XLogP4.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46652418
N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18113901
N-ethyl-N-(2-ethylbutyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55689000
N-[3-(dimethylamino)-3-oxopropyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55737255
N-methyl-4-oxo-3-propyl-N-[[2-(trifluoromethoxy)phenyl]methyl]phthalazine-1-carboxamide
CID 38075683
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide
CID 31645422
N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119404869
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
(2,3-difluorophenyl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate
CID 55443591
N-ethyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pentylphthalazine-1-carboxamide
CID 135932294
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-oxo-3-propylphthalazine-1-carboxamide
CID 26826362

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide (CID 78781512) is N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide is CCCCCn1nc(C(=O)N(C)Cc2cccc(F)c2)c2ccccc2c1=O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide?
The InChIKey is HTNOFXQSMOJNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-3-4-7-13-26-21(27)19-12-6-5-11-18(19)20(24-26)22(28)25(2)15-16-9-8-10-17(23)14-16/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide is sourced from PubChem (CID 78781512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).