4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H13BrCl2N2O — CID 43640867

IUPAC4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13BrCl2N2O/c1-8(2)19-7-9(15)3-13(19)14(20)18-12-5-10(16)4-11(17)6-12/h3-8H,1-2H3,(H,18,20)
InChIKeyNQWGRHSHZSHKKH-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.39
Rot. Bonds3

About 4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43640867) has the molecular formula C14H13BrCl2N2O and a molecular weight of 376.08 g/mol. Its IUPAC name is 4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43640867
Molecular FormulaC14H13BrCl2N2O
Molecular Weight376.08 g/mol
Exact Mass373.96
IUPAC Name4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13BrCl2N2O/c1-8(2)19-7-9(15)3-13(19)14(20)18-12-5-10(16)4-11(17)6-12/h3-8H,1-2H3,(H,18,20)
InChIKeyNQWGRHSHZSHKKH-UHFFFAOYSA-N
XLogP5.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
N-(4-bromo-3,5-dimethylphenyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 107574915
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488
4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233
4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79035675
4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115666662
4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102979147
4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114839980
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]oxyacetic acid
CID 63929907
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 80710284
4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide
CID 78895551
4-bromo-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60808516

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43640867) is 4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is NQWGRHSHZSHKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2O/c1-8(2)19-7-9(15)3-13(19)14(20)18-12-5-10(16)4-11(17)6-12/h3-8H,1-2H3,(H,18,20).
What are the key properties of 4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 376.08 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43640867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).