N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide

C11H14FNO2 — CID 90285883

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-3-11(14)13-7-8-4-5-10(15-2)9(12)6-8/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyFBMGJUGCUBTNGH-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.86
Rot. Bonds4

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

N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide (PubChem CID 90285883) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
PubChem CID90285883
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-3-11(14)13-7-8-4-5-10(15-2)9(12)6-8/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyFBMGJUGCUBTNGH-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide (CID 90285883) is N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide is CCC(=O)NCc1ccc(OC)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
The InChIKey is FBMGJUGCUBTNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-3-11(14)13-7-8-4-5-10(15-2)9(12)6-8/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide has a molecular weight of 211.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 90285883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).