N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide

C11H6BrCl2FN2O — CID 43134338

IUPACN-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H6BrCl2FN2O/c12-6-3-5(15)1-2-8(6)17-11(18)9-4-7(13)10(14)16-9/h1-4,16H,(H,17,18)
InChIKeyAAEQQJXNMHRTPW-UHFFFAOYSA-N
MW351.99 g/mol
LogP4.48
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide

N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (PubChem CID 43134338) has the molecular formula C11H6BrCl2FN2O and a molecular weight of 351.99 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
PubChem CID43134338
Molecular FormulaC11H6BrCl2FN2O
Molecular Weight351.99 g/mol
Exact Mass349.90
IUPAC NameN-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H6BrCl2FN2O/c12-6-3-5(15)1-2-8(6)17-11(18)9-4-7(13)10(14)16-9/h1-4,16H,(H,17,18)
InChIKeyAAEQQJXNMHRTPW-UHFFFAOYSA-N
XLogP4.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.99
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(2-bromo-4-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 28938603
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547
4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 43643192
N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645283
N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 43806529
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574
4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide
CID 31301419
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207178
5-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-2,4-difluorobenzoic acid
CID 60828597
N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625157
N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31302300

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (CID 43134338) is N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(F)cc1Br)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The InChIKey is AAEQQJXNMHRTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2FN2O/c12-6-3-5(15)1-2-8(6)17-11(18)9-4-7(13)10(14)16-9/h1-4,16H,(H,17,18).
What are the key properties of N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide has a molecular weight of 351.99 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43134338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).