N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide

C12H10BrFN2O — CID 65431810

IUPACN-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN2O/c1-16-6-2-3-11(16)12(17)15-8-4-5-9(13)10(14)7-8/h2-7H,1H3,(H,15,17)
InChIKeyYLHZQCLITXCJLI-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.18
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide

N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 65431810) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID65431810
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC NameN-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN2O/c1-16-6-2-3-11(16)12(17)15-8-4-5-9(13)10(14)7-8/h2-7H,1H3,(H,15,17)
InChIKeyYLHZQCLITXCJLI-UHFFFAOYSA-N
XLogP3.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 65434492
1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 55520483
N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 67517600
N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 162733829
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-(4-bromo-3-methylphenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 53123941
N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide
CID 64780134
1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide
CID 139398325
2-[2-[(3-bromo-4-fluorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 104780407

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide (CID 65431810) is N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is YLHZQCLITXCJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-16-6-2-3-11(16)12(17)15-8-4-5-9(13)10(14)7-8/h2-7H,1H3,(H,15,17).
What are the key properties of N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide?
N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 297.13 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 65431810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).