N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide

C14H13BrFN3O2 — CID 60728721

IUPACN-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2cc(Br)cn2C)c1
InChIInChI=1S/C14H13BrFN3O2/c1-8(20)17-10-3-4-11(16)12(6-10)18-14(21)13-5-9(15)7-19(13)2/h3-7H,1-2H3,(H,17,20)(H,18,21)
InChIKeyWGFAXLVCGFDADF-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.14
Rot. Bonds3

About N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide

N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide (PubChem CID 60728721) has the molecular formula C14H13BrFN3O2 and a molecular weight of 354.18 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide
PubChem CID60728721
Molecular FormulaC14H13BrFN3O2
Molecular Weight354.18 g/mol
Exact Mass353.02
IUPAC NameN-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2cc(Br)cn2C)c1
InChIInChI=1S/C14H13BrFN3O2/c1-8(20)17-10-3-4-11(16)12(6-10)18-14(21)13-5-9(15)7-19(13)2/h3-7H,1-2H3,(H,17,20)(H,18,21)
InChIKeyWGFAXLVCGFDADF-UHFFFAOYSA-N
XLogP3.14
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 103842486
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411067
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43411079
4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411034
4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43411016
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
N-(5-acetamido-2-fluorophenyl)-3,5-difluoro-4-hydroxybenzamide
CID 86786071
4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide
CID 96565911
4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 81003777
4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60932931

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide (CID 60728721) is N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide is CC(=O)Nc1ccc(F)c(NC(=O)c2cc(Br)cn2C)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide?
The InChIKey is WGFAXLVCGFDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O2/c1-8(20)17-10-3-4-11(16)12(6-10)18-14(21)13-5-9(15)7-19(13)2/h3-7H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide?
N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide has a molecular weight of 354.18 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60728721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).