N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide

C17H18FNO2 — CID 40600143

IUPACN-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-21-16-9-5-3-6-13(16)10-11-17(20)19-12-14-7-2-4-8-15(14)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyVXYYMFGLNTWOHE-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.08
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide

N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 40600143) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
PubChem CID40600143
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-21-16-9-5-3-6-13(16)10-11-17(20)19-12-14-7-2-4-8-15(14)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyVXYYMFGLNTWOHE-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109020694
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021953
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899973
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
N-[(2-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330856
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997498
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide
CID 112992471
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38534369
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110416240

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide (CID 40600143) is N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is VXYYMFGLNTWOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-16-9-5-3-6-13(16)10-11-17(20)19-12-14-7-2-4-8-15(14)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide?
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 287.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 40600143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).