N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide

C18H16FN3O2 — CID 69151061

IUPACN-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(Cc3cccc(F)c3)n[nH]c(=O)c2c1
InChIInChI=1S/C18H16FN3O2/c1-2-17(23)20-13-6-7-14-15(10-13)18(24)22-21-16(14)9-11-4-3-5-12(19)8-11/h3-8,10H,2,9H2,1H3,(H,20,23)(H,22,24)
InChIKeyNQUBGAUQMIQZEJ-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.00
Rot. Bonds4

About N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide

N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide (PubChem CID 69151061) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide
PubChem CID69151061
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(Cc3cccc(F)c3)n[nH]c(=O)c2c1
InChIInChI=1S/C18H16FN3O2/c1-2-17(23)20-13-6-7-14-15(10-13)18(24)22-21-16(14)9-11-4-3-5-12(19)8-11/h3-8,10H,2,9H2,1H3,(H,20,23)(H,22,24)
InChIKeyNQUBGAUQMIQZEJ-UHFFFAOYSA-N
XLogP3.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methylphenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-pyridin-3-ylurea
CID 69152090
4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide
CID 88999580
ethyl 4-[[1-[(4-cyanophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]amino]-4-oxobutanoate
CID 69152530
1-[1-[(4-chlorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-(3,4-dichlorophenyl)urea
CID 69151484
N-[3-[[2-(3-fluorophenyl)acetyl]amino]-4-methylphenyl]propanamide
CID 46467166
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262
1-(4-methylphenyl)-3-[4-oxo-1-(quinolin-3-ylmethyl)-3H-phthalazin-6-yl]urea
CID 69152197
N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
CID 70806948
N-(3-benzylphenyl)propanamide
CID 70797974
4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 148786436
6-fluoro-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-4H-1,3-benzodioxine-8-carboxamide
CID 70807031
4-[(3-acetyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70255127

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide (CID 69151061) is N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide is CCC(=O)Nc1ccc2c(Cc3cccc(F)c3)n[nH]c(=O)c2c1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide?
The InChIKey is NQUBGAUQMIQZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-2-17(23)20-13-6-7-14-15(10-13)18(24)22-21-16(14)9-11-4-3-5-12(19)8-11/h3-8,10H,2,9H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide?
N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide has a molecular weight of 325.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide is sourced from PubChem (CID 69151061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).