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

C14H13BrClFN2O — CID 43641431

IUPAC4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H13BrClFN2O/c1-2-5-19-8-9(15)6-13(19)14(20)18-12-4-3-10(17)7-11(12)16/h3-4,6-8H,2,5H2,1H3,(H,18,20)
InChIKeyJACGYVJLQLJPPQ-UHFFFAOYSA-N
MW359.63 g/mol
LogP4.71
Rot. Bonds4

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

4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43641431) has the molecular formula C14H13BrClFN2O and a molecular weight of 359.63 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
PubChem CID43641431
Molecular FormulaC14H13BrClFN2O
Molecular Weight359.63 g/mol
Exact Mass357.99
IUPAC Name4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H13BrClFN2O/c1-2-5-19-8-9(15)6-13(19)14(20)18-12-4-3-10(17)7-11(12)16/h3-4,6-8H,2,5H2,1H3,(H,18,20)
InChIKeyJACGYVJLQLJPPQ-UHFFFAOYSA-N
XLogP4.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.63
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 43642423
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 103753374
N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 43639788
4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63793142
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
CID 43640837
4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 63525463
4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 103811088
N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 81288414
N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43639068
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190
4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 43641337

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide (CID 43641431) is 4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is JACGYVJLQLJPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2O/c1-2-5-19-8-9(15)6-13(19)14(20)18-12-4-3-10(17)7-11(12)16/h3-4,6-8H,2,5H2,1H3,(H,18,20).
What are the key properties of 4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 359.63 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43641431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).