N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide

C18H20FNO2 — CID 111477086

IUPACN-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)N(CCO)Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H20FNO2/c1-14(16-8-5-9-17(19)12-16)18(22)20(10-11-21)13-15-6-3-2-4-7-15/h2-9,12,14,21H,10-11,13H2,1H3
InChIKeyIOHAIHRVSTZBRB-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.95
Rot. Bonds6

About N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide

N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 111477086) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide
PubChem CID111477086
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)N(CCO)Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H20FNO2/c1-14(16-8-5-9-17(19)12-16)18(22)20(10-11-21)13-15-6-3-2-4-7-15/h2-9,12,14,21H,10-11,13H2,1H3
InChIKeyIOHAIHRVSTZBRB-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide (CID 111477086) is N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide is CC(C(=O)N(CCO)Cc1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is IOHAIHRVSTZBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-14(16-8-5-9-17(19)12-16)18(22)20(10-11-21)13-15-6-3-2-4-7-15/h2-9,12,14,21H,10-11,13H2,1H3.
What are the key properties of N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide?
N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 301.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 111477086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).