N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide

C24H34FN3O3 — CID 175478497

IUPACN-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(-n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C24H34FN3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(29)26-19-14-16-20(17-15-19)28-18-21(25)23(30)27-24(28)31/h14-18H,2-13H2,1H3,(H,26,29)(H,27,30,31)
InChIKeyGRVAOCQFCRCPOG-UHFFFAOYSA-N
MW431.55 g/mol
LogP5.30
Rot. Bonds14

About N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide

N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide (PubChem CID 175478497) has the molecular formula C24H34FN3O3 and a molecular weight of 431.55 g/mol. Its IUPAC name is N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide
PubChem CID175478497
Molecular FormulaC24H34FN3O3
Molecular Weight431.55 g/mol
Exact Mass431.26
IUPAC NameN-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(-n2cc(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C24H34FN3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(29)26-19-14-16-20(17-15-19)28-18-21(25)23(30)27-24(28)31/h14-18H,2-13H2,1H3,(H,26,29)(H,27,30,31)
InChIKeyGRVAOCQFCRCPOG-UHFFFAOYSA-N
XLogP5.30
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.55
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 175478487
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N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
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CID 118504435

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide?
The IUPAC name of N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide (CID 175478497) is N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide.
What is the SMILES notation for N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide?
The canonical SMILES for N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide is CCCCCCCCCCCCCC(=O)Nc1ccc(-n2cc(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide?
The InChIKey is GRVAOCQFCRCPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(29)26-19-14-16-20(17-15-19)28-18-21(25)23(30)27-24(28)31/h14-18H,2-13H2,1H3,(H,26,29)(H,27,30,31).
What are the key properties of N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide?
N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide has a molecular weight of 431.55 g/mol, XLogP of 5.30, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide is sourced from PubChem (CID 175478497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).