3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

C18H20FNO2 — CID 50948314

IUPAC3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C18H20FNO2/c1-13(2)20(9-10-21)18(22)16-7-3-5-14(11-16)15-6-4-8-17(19)12-15/h3-8,11-13,21H,9-10H2,1-2H3
InChIKeyIIAITFQSDZHYGK-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.34
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (PubChem CID 50948314) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
PubChem CID50948314
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C18H20FNO2/c1-13(2)20(9-10-21)18(22)16-7-3-5-14(11-16)15-6-4-8-17(19)12-15/h3-8,11-13,21H,9-10H2,1-2H3
InChIKeyIIAITFQSDZHYGK-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (CID 50948314) is 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is CC(C)N(CCO)C(=O)c1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The InChIKey is IIAITFQSDZHYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13(2)20(9-10-21)18(22)16-7-3-5-14(11-16)15-6-4-8-17(19)12-15/h3-8,11-13,21H,9-10H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide has a molecular weight of 301.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 50948314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).