N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide

C19H22FNO2 — CID 90599078

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide
SMILESCOC(C)(CNC(=O)CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H22FNO2/c1-19(23-2,16-10-6-7-11-17(16)20)14-21-18(22)13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22)
InChIKeyNNBLJTRKHSUTOO-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide (PubChem CID 90599078) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide
PubChem CID90599078
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide
SMILESCOC(C)(CNC(=O)CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H22FNO2/c1-19(23-2,16-10-6-7-11-17(16)20)14-21-18(22)13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22)
InChIKeyNNBLJTRKHSUTOO-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide (CID 90599078) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide is COC(C)(CNC(=O)CCc1ccccc1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide?
The InChIKey is NNBLJTRKHSUTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-19(23-2,16-10-6-7-11-17(16)20)14-21-18(22)13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide has a molecular weight of 315.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylpropanamide is sourced from PubChem (CID 90599078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).