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

C29H29FN4O6 — CID 71483671

IUPACN'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide
SMILESCOc1cc(NC(=O)CCCC(=O)Nc2cc(Cc3cccc4c(=O)[nH]ncc34)ccc2F)cc(OC)c1OC
InChIInChI=1S/C29H29FN4O6/c1-38-24-14-19(15-25(39-2)28(24)40-3)32-26(35)8-5-9-27(36)33-23-13-17(10-11-22(23)30)12-18-6-4-7-20-21(18)16-31-34-29(20)37/h4,6-7,10-11,13-16H,5,8-9,12H2,1-3H3,(H,32,35)(H,33,36)(H,34,37)
InChIKeyARZYMGDMXGACMC-UHFFFAOYSA-N
MW548.57 g/mol
LogP4.43
Rot. Bonds11

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

N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide (PubChem CID 71483671) has the molecular formula C29H29FN4O6 and a molecular weight of 548.57 g/mol. Its IUPAC name is N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide.

Molecular Properties

Compound NameN'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide
PubChem CID71483671
Molecular FormulaC29H29FN4O6
Molecular Weight548.57 g/mol
Exact Mass548.21
IUPAC NameN'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide
SMILESCOc1cc(NC(=O)CCCC(=O)Nc2cc(Cc3cccc4c(=O)[nH]ncc34)ccc2F)cc(OC)c1OC
InChIInChI=1S/C29H29FN4O6/c1-38-24-14-19(15-25(39-2)28(24)40-3)32-26(35)8-5-9-27(36)33-23-13-17(10-11-22(23)30)12-18-6-4-7-20-21(18)16-31-34-29(20)37/h4,6-7,10-11,13-16H,5,8-9,12H2,1-3H3,(H,32,35)(H,33,36)(H,34,37)
InChIKeyARZYMGDMXGACMC-UHFFFAOYSA-N
XLogP4.43
TPSA131.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.57
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide with MolForge

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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-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2711396
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 40723461
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 45370778
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
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-(2,3-difluorophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60596443
(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
2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113098835
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638

Frequently Asked Questions

What is the IUPAC name of N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide?
The IUPAC name of N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide (CID 71483671) is N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide.
What is the SMILES notation for N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide?
The canonical SMILES for N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide is COc1cc(NC(=O)CCCC(=O)Nc2cc(Cc3cccc4c(=O)[nH]ncc34)ccc2F)cc(OC)c1OC.
What is the InChIKey of N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide?
The InChIKey is ARZYMGDMXGACMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O6/c1-38-24-14-19(15-25(39-2)28(24)40-3)32-26(35)8-5-9-27(36)33-23-13-17(10-11-22(23)30)12-18-6-4-7-20-21(18)16-31-34-29(20)37/h4,6-7,10-11,13-16H,5,8-9,12H2,1-3H3,(H,32,35)(H,33,36)(H,34,37).
What are the key properties of N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide?
N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide has a molecular weight of 548.57 g/mol, XLogP of 4.43, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-fluoro-5-[(1-oxo-2H-phthalazin-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pentanediamide is sourced from PubChem (CID 71483671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).