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

C15H16BrClN2O — CID 43639788

IUPACN-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H16BrClN2O/c1-3-6-19-9-12(17)8-14(19)15(20)18-13-5-4-11(16)7-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)
InChIKeyKXDMXGUYSYSDQL-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.87
Rot. Bonds4

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

N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide (PubChem CID 43639788) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
PubChem CID43639788
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC NameN-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H16BrClN2O/c1-3-6-19-9-12(17)8-14(19)15(20)18-13-5-4-11(16)7-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)
InChIKeyKXDMXGUYSYSDQL-UHFFFAOYSA-N
XLogP4.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 81288414
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461
N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 65498938
4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43641431
4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 43642423
N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121522
4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide
CID 104620364
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110863038
4-chloro-N-(6-fluoro-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 104820532
N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 107583826

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide (CID 43639788) is N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
The InChIKey is KXDMXGUYSYSDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-3-6-19-9-12(17)8-14(19)15(20)18-13-5-4-11(16)7-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,18,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide has a molecular weight of 355.66 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43639788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).