3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide

C14H20BrFN2O2 — CID 110932129

IUPAC3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(CCO)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2O2/c1-2-17-14(20)5-6-18(7-8-19)10-11-9-12(15)3-4-13(11)16/h3-4,9,19H,2,5-8,10H2,1H3,(H,17,20)
InChIKeyXNZFFMKGRFZERD-UHFFFAOYSA-N
MW347.23 g/mol
LogP1.91
Rot. Bonds8

About 3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide

3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide (PubChem CID 110932129) has the molecular formula C14H20BrFN2O2 and a molecular weight of 347.23 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide
PubChem CID110932129
Molecular FormulaC14H20BrFN2O2
Molecular Weight347.23 g/mol
Exact Mass346.07
IUPAC Name3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(CCO)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2O2/c1-2-17-14(20)5-6-18(7-8-19)10-11-9-12(15)3-4-13(11)16/h3-4,9,19H,2,5-8,10H2,1H3,(H,17,20)
InChIKeyXNZFFMKGRFZERD-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide (CID 110932129) is 3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide is CCNC(=O)CCN(CCO)Cc1cc(Br)ccc1F.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide?
The InChIKey is XNZFFMKGRFZERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2/c1-2-17-14(20)5-6-18(7-8-19)10-11-9-12(15)3-4-13(11)16/h3-4,9,19H,2,5-8,10H2,1H3,(H,17,20).
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide?
3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide has a molecular weight of 347.23 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 110932129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).