N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide

C16H16FNO2 — CID 110755454

IUPACN-[(2-fluorophenyl)methyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCc1ccccc1F
InChIInChI=1S/C16H16FNO2/c17-15-9-5-4-6-13(15)12-18-16(19)10-11-20-14-7-2-1-3-8-14/h1-9H,10-12H2,(H,18,19)
InChIKeyDDZOWNUBXJCMMI-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.91
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide

N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide (PubChem CID 110755454) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-phenoxypropanamide
PubChem CID110755454
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[(2-fluorophenyl)methyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCc1ccccc1F
InChIInChI=1S/C16H16FNO2/c17-15-9-5-4-6-13(15)12-18-16(19)10-11-20-14-7-2-1-3-8-14/h1-9H,10-12H2,(H,18,19)
InChIKeyDDZOWNUBXJCMMI-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
N-[2-[acetyl-[(2-fluorophenyl)methyl]amino]ethyl]-3-phenoxypropanamide
CID 113054565
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 112970906
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide (CID 110755454) is N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide?
The InChIKey is DDZOWNUBXJCMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-15-9-5-4-6-13(15)12-18-16(19)10-11-20-14-7-2-1-3-8-14/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide?
N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide has a molecular weight of 273.31 g/mol, XLogP of 2.91, 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-phenoxypropanamide is sourced from PubChem (CID 110755454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).