4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide

C15H15BrF2N2O — CID 60954413

IUPAC4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C15H15BrF2N2O/c1-9(12-7-11(17)4-5-13(12)18)20(3)15(21)14-6-10(16)8-19(14)2/h4-9H,1-3H3
InChIKeyUIFBMYRFRVKGJC-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.90
Rot. Bonds3

About 4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide

4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 60954413) has the molecular formula C15H15BrF2N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID60954413
Molecular FormulaC15H15BrF2N2O
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC Name4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C15H15BrF2N2O/c1-9(12-7-11(17)4-5-13(12)18)20(3)15(21)14-6-10(16)8-19(14)2/h4-9H,1-3H3
InChIKeyUIFBMYRFRVKGJC-UHFFFAOYSA-N
XLogP3.90
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61106865
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518
N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645773
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62637683
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788857
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86925789
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 46591635
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 119051303
4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 43641486
N-[1-(2,5-difluorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)-N-methylbenzamide
CID 78852350
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46588913

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide (CID 60954413) is 4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide is CC(c1cc(F)ccc1F)N(C)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is UIFBMYRFRVKGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O/c1-9(12-7-11(17)4-5-13(12)18)20(3)15(21)14-6-10(16)8-19(14)2/h4-9H,1-3H3.
What are the key properties of 4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 357.20 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 60954413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).