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

C25H23FN4O4 — CID 71483988

IUPACN'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)NCc1ccco1
InChIInChI=1S/C25H23FN4O4/c26-20-11-10-16(13-21-18-6-1-2-7-19(18)25(33)30-29-21)14-22(20)28-24(32)9-3-8-23(31)27-15-17-5-4-12-34-17/h1-2,4-7,10-12,14H,3,8-9,13,15H2,(H,27,31)(H,28,32)(H,30,33)
InChIKeySZDPOKUPJHZMKW-UHFFFAOYSA-N
MW462.48 g/mol
LogP3.67
Rot. Bonds9

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

N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide (PubChem CID 71483988) has the molecular formula C25H23FN4O4 and a molecular weight of 462.48 g/mol. Its IUPAC name is N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide.

Molecular Properties

Compound NameN'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide
PubChem CID71483988
Molecular FormulaC25H23FN4O4
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC NameN'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)NCc1ccco1
InChIInChI=1S/C25H23FN4O4/c26-20-11-10-16(13-21-18-6-1-2-7-19(18)25(33)30-29-21)14-22(20)28-24(32)9-3-8-23(31)27-15-17-5-4-12-34-17/h1-2,4-7,10-12,14H,3,8-9,13,15H2,(H,27,31)(H,28,32)(H,30,33)
InChIKeySZDPOKUPJHZMKW-UHFFFAOYSA-N
XLogP3.67
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.67
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]-N-(2-methoxyphenyl)pentanediamide
CID 71483989
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
(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-acetyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70255127
3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 110734347
ethane;4-[(3-ethenyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one;methanol
CID 145385826
4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide
CID 88999580
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
5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
CID 23449499
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55772978
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658
N-(4-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901318

Frequently Asked Questions

What is the IUPAC name of N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide?
The IUPAC name of N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide (CID 71483988) is N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide.
What is the SMILES notation for N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide?
The canonical SMILES for N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide is O=C(CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)NCc1ccco1.
What is the InChIKey of N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide?
The InChIKey is SZDPOKUPJHZMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4/c26-20-11-10-16(13-21-18-6-1-2-7-19(18)25(33)30-29-21)14-22(20)28-24(32)9-3-8-23(31)27-15-17-5-4-12-34-17/h1-2,4-7,10-12,14H,3,8-9,13,15H2,(H,27,31)(H,28,32)(H,30,33).
What are the key properties of N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide?
N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(furan-2-ylmethyl)pentanediamide has a molecular weight of 462.48 g/mol, XLogP of 3.67, 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-(furan-2-ylmethyl)pentanediamide is sourced from PubChem (CID 71483988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).