N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide

C19H20FN5O2 — CID 51241706

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCN(CCOc1ccccc1F)C(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C19H20FN5O2/c1-24(11-12-27-18-10-6-5-9-16(18)20)19(26)17(25-14-21-22-23-25)13-15-7-3-2-4-8-15/h2-10,14,17H,11-13H2,1H3
InChIKeyPMFGEWPXJLDDOO-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.13
Rot. Bonds8

About N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 51241706) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID51241706
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCN(CCOc1ccccc1F)C(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C19H20FN5O2/c1-24(11-12-27-18-10-6-5-9-16(18)20)19(26)17(25-14-21-22-23-25)13-15-7-3-2-4-8-15/h2-10,14,17H,11-13H2,1H3
InChIKeyPMFGEWPXJLDDOO-UHFFFAOYSA-N
XLogP2.13
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 51241706) is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide is CN(CCOc1ccccc1F)C(=O)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is PMFGEWPXJLDDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-24(11-12-27-18-10-6-5-9-16(18)20)19(26)17(25-14-21-22-23-25)13-15-7-3-2-4-8-15/h2-10,14,17H,11-13H2,1H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 369.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 51241706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).