4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

C15H16BrClN2O — CID 43641233

IUPAC4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C15H16BrClN2O/c1-9(2)19-8-11(16)6-14(19)15(20)18-13-7-12(17)5-4-10(13)3/h4-9H,1-3H3,(H,18,20)
InChIKeyGSEVNWZOPMYWTD-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.05
Rot. Bonds3

About 4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43641233) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43641233
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C15H16BrClN2O/c1-9(2)19-8-11(16)6-14(19)15(20)18-13-7-12(17)5-4-10(13)3/h4-9H,1-3H3,(H,18,20)
InChIKeyGSEVNWZOPMYWTD-UHFFFAOYSA-N
XLogP5.05
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640867
4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816
4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102979147
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 78895818
N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506728
4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640762
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
N-(4-bromo-3,5-dimethylphenyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 107574915
4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641275
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43641233) is 4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of 4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is GSEVNWZOPMYWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-9(2)19-8-11(16)6-14(19)15(20)18-13-7-12(17)5-4-10(13)3/h4-9H,1-3H3,(H,18,20).
What are the key properties of 4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 355.66 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43641233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).