N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide

C13H11BrClFN2O — CID 43639461

IUPACN-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H11BrClFN2O/c1-2-18-7-9(15)6-12(18)13(19)17-11-4-3-8(14)5-10(11)16/h3-7H,2H2,1H3,(H,17,19)
InChIKeyCFQRRUYLHGENQJ-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.32
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide

N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide (PubChem CID 43639461) has the molecular formula C13H11BrClFN2O and a molecular weight of 345.60 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
PubChem CID43639461
Molecular FormulaC13H11BrClFN2O
Molecular Weight345.60 g/mol
Exact Mass343.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H11BrClFN2O/c1-2-18-7-9(15)6-12(18)13(19)17-11-4-3-8(14)5-10(11)16/h3-7H,2H2,1H3,(H,17,19)
InChIKeyCFQRRUYLHGENQJ-UHFFFAOYSA-N
XLogP4.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639503
4-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63189791
N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 81288414
N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 43639788
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 114051836
N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 65498938
N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 107583826
4-bromo-N-(2,5-difluoro-4-methylphenyl)-1-ethylpyrrole-2-carboxamide
CID 103586259
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 103753374
N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 62908256

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide (CID 43639461) is N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The InChIKey is CFQRRUYLHGENQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2O/c1-2-18-7-9(15)6-12(18)13(19)17-11-4-3-8(14)5-10(11)16/h3-7H,2H2,1H3,(H,17,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide has a molecular weight of 345.60 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 43639461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).