4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide

C15H16BrFN2O2 — CID 60956026

IUPAC4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CCOc1cccc(F)c1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C15H16BrFN2O2/c1-18(15(20)14-8-11(16)10-19(14)2)6-7-21-13-5-3-4-12(17)9-13/h3-5,8-10H,6-7H2,1-2H3
InChIKeyJVQDNWIWTNFSAS-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.08
Rot. Bonds5

About 4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide

4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 60956026) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID60956026
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CCOc1cccc(F)c1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C15H16BrFN2O2/c1-18(15(20)14-8-11(16)10-19(14)2)6-7-21-13-5-3-4-12(17)9-13/h3-5,8-10H,6-7H2,1-2H3
InChIKeyJVQDNWIWTNFSAS-UHFFFAOYSA-N
XLogP3.08
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide (CID 60956026) is 4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide is CN(CCOc1cccc(F)c1)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is JVQDNWIWTNFSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-18(15(20)14-8-11(16)10-19(14)2)6-7-21-13-5-3-4-12(17)9-13/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 355.21 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(3-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 60956026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).