N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide

C14H20FNO2 — CID 155548813

IUPACN-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCCC(=O)NCC(C)(C)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H20FNO2/c1-5-13(17)16-9-14(2,3)10-6-7-11(15)12(8-10)18-4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyRGEAICXTRXKLRS-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.64
Rot. Bonds5

About N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide

N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide (PubChem CID 155548813) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide
PubChem CID155548813
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide
SMILESCCC(=O)NCC(C)(C)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H20FNO2/c1-5-13(17)16-9-14(2,3)10-6-7-11(15)12(8-10)18-4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyRGEAICXTRXKLRS-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide?
The IUPAC name of N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide (CID 155548813) is N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide?
The canonical SMILES for N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide is CCC(=O)NCC(C)(C)c1ccc(F)c(OC)c1.
What is the InChIKey of N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide?
The InChIKey is RGEAICXTRXKLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-5-13(17)16-9-14(2,3)10-6-7-11(15)12(8-10)18-4/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide?
N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide has a molecular weight of 253.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 155548813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).