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

C15H16BrFN2O2 — CID 60698653

IUPAC4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C15H16BrFN2O2/c1-18(15(20)13-9-11(16)10-19(13)2)7-8-21-14-6-4-3-5-12(14)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyIVOAHQDWIZVBRF-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.08
Rot. Bonds5

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

4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 60698653) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID60698653
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C15H16BrFN2O2/c1-18(15(20)13-9-11(16)10-19(13)2)7-8-21-14-6-4-3-5-12(14)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyIVOAHQDWIZVBRF-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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Related Compounds

N-(3-bromo-4-(2-(pyrrolidin-1-yl)ethoxy)phenethyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 44546762
N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 24983185
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-2-pyrrolecarboxamide
CID 25161990
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 744557
Agelanesin B
CID 46232059
N-(3-bromo-4-(3-(dimethylamino)propoxy)phenethyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 44546761
N-(3-bromo-4-(2-(dimethylamino)ethoxy)phenethyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 44546763
N-(3-bromo-4-(2-(dimethylamino)ethoxy)phenethyl)-1H-pyrrole-2-carboxamide
CID 44546916
N-(3-bromo-4-(2-(dimethylamino)ethoxy)phenethyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 44549089
N'-[2-(2-fluorophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 24817911
N-(2-{[(4-bromophenoxy)acetyl]amino}ethyl)pyridine-2-carboxamide
CID 2991712
N-(3-bromo-4-(2-morpholinoethoxy)phenethyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 45269614

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide (CID 60698653) is 4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide is CN(CCOc1ccccc1F)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is IVOAHQDWIZVBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-18(15(20)13-9-11(16)10-19(13)2)7-8-21-14-6-4-3-5-12(14)17/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
4-bromo-N-[2-(2-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-(2-fluorophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 60698653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).