N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide

C27H25FN4O4 — CID 71483989

IUPACN'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide
SMILESCOc1ccccc1NC(=O)CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C27H25FN4O4/c1-36-24-10-5-4-9-21(24)29-25(33)11-6-12-26(34)30-23-16-17(13-14-20(23)28)15-22-18-7-2-3-8-19(18)27(35)32-31-22/h2-5,7-10,13-14,16H,6,11-12,15H2,1H3,(H,29,33)(H,30,34)(H,32,35)
InChIKeyANLSUWUAVHUIGS-UHFFFAOYSA-N
MW488.52 g/mol
LogP4.41
Rot. Bonds9

About N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide

N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide (PubChem CID 71483989) has the molecular formula C27H25FN4O4 and a molecular weight of 488.52 g/mol. Its IUPAC name is N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide.

Molecular Properties

Compound NameN'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide
PubChem CID71483989
Molecular FormulaC27H25FN4O4
Molecular Weight488.52 g/mol
Exact Mass488.19
IUPAC NameN'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide
SMILESCOc1ccccc1NC(=O)CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C27H25FN4O4/c1-36-24-10-5-4-9-21(24)29-25(33)11-6-12-26(34)30-23-16-17(13-14-20(23)28)15-22-18-7-2-3-8-19(18)27(35)32-31-22/h2-5,7-10,13-14,16H,6,11-12,15H2,1H3,(H,29,33)(H,30,34)(H,32,35)
InChIKeyANLSUWUAVHUIGS-UHFFFAOYSA-N
XLogP4.41
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-5-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-5-oxopentanamide
CID 71483929
N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide
CID 71483671
[2-(2-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251522
methyl 2-[[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]carbamoyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-methylpropanoate
CID 59856548
4-[(3-acetyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70255127
(Z)-4-(4-ethylpiperazin-1-yl)-N-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3-methyl-4-oxobut-2-enamide
CID 71484025
4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 148786436
ethane;4-[(3-ethenyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one;methanol
CID 145385826
4-[[4-fluoro-3-[4-(2-methoxyphenyl)-3-oxopiperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 57405915
N-(2-acetamidoethyl)-5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentanamide
CID 129147553
4-[[4-fluoro-3-(pyrrole-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 141450757
4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide
CID 88999580

Frequently Asked Questions

What is the IUPAC name of N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide?
The IUPAC name of N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide (CID 71483989) is N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide.
What is the SMILES notation for N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide?
The canonical SMILES for N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide is COc1ccccc1NC(=O)CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F.
What is the InChIKey of N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide?
The InChIKey is ANLSUWUAVHUIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O4/c1-36-24-10-5-4-9-21(24)29-25(33)11-6-12-26(34)30-23-16-17(13-14-20(23)28)15-22-18-7-2-3-8-19(18)27(35)32-31-22/h2-5,7-10,13-14,16H,6,11-12,15H2,1H3,(H,29,33)(H,30,34)(H,32,35).
What are the key properties of N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide?
N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide has a molecular weight of 488.52 g/mol, XLogP of 4.41, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide is sourced from PubChem (CID 71483989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).