N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide

C17H18FNO2 — CID 56708842

IUPACN-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1-c1ccc(F)cc1OC
InChIInChI=1S/C17H18FNO2/c1-3-17(20)19-11-12-6-4-5-7-14(12)15-9-8-13(18)10-16(15)21-2/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyIGOAKMYLLGKNNU-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.53
Rot. Bonds5

About N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide

N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide (PubChem CID 56708842) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide
PubChem CID56708842
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1-c1ccc(F)cc1OC
InChIInChI=1S/C17H18FNO2/c1-3-17(20)19-11-12-6-4-5-7-14(12)15-9-8-13(18)10-16(15)21-2/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyIGOAKMYLLGKNNU-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.53
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-2-methoxyphenyl)phenyl]methyl]propanamide?
The IUPAC name of N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide (CID 56708842) is N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide?
The canonical SMILES for N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide is CCC(=O)NCc1ccccc1-c1ccc(F)cc1OC.
What is the InChIKey of N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide?
The InChIKey is IGOAKMYLLGKNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-17(20)19-11-12-6-4-5-7-14(12)15-9-8-13(18)10-16(15)21-2/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide?
N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide has a molecular weight of 287.33 g/mol, XLogP of 3.53, 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-2-methoxyphenyl)phenyl]methyl]propanamide is sourced from PubChem (CID 56708842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).