N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide

C16H23FN2O3 — CID 50962412

IUPACN'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide
SMILESCCC(CNC(=O)CCC(=O)Nc1cc(C)ccc1F)OC
InChIInChI=1S/C16H23FN2O3/c1-4-12(22-3)10-18-15(20)7-8-16(21)19-14-9-11(2)5-6-13(14)17/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWMTYWUKFNPYSDQ-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.39
Rot. Bonds8

About N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide

N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide (PubChem CID 50962412) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide.

Molecular Properties

Compound NameN'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide
PubChem CID50962412
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide
SMILESCCC(CNC(=O)CCC(=O)Nc1cc(C)ccc1F)OC
InChIInChI=1S/C16H23FN2O3/c1-4-12(22-3)10-18-15(20)7-8-16(21)19-14-9-11(2)5-6-13(14)17/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWMTYWUKFNPYSDQ-UHFFFAOYSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide?
The IUPAC name of N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide (CID 50962412) is N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide.
What is the SMILES notation for N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide?
The canonical SMILES for N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide is CCC(CNC(=O)CCC(=O)Nc1cc(C)ccc1F)OC.
What is the InChIKey of N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide?
The InChIKey is WMTYWUKFNPYSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-4-12(22-3)10-18-15(20)7-8-16(21)19-14-9-11(2)5-6-13(14)17/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide?
N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide has a molecular weight of 310.37 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide is sourced from PubChem (CID 50962412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).