4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide

C16H17BrN2O — CID 43641085

IUPAC4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(Br)cn2C2CC2)c1
InChIInChI=1S/C16H17BrN2O/c1-10-5-11(2)7-13(6-10)18-16(20)15-8-12(17)9-19(15)14-3-4-14/h5-9,14H,3-4H2,1-2H3,(H,18,20)
InChIKeyPGSAEOIQBYDIPG-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.45
Rot. Bonds3

About 4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide (PubChem CID 43641085) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
PubChem CID43641085
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(Br)cn2C2CC2)c1
InChIInChI=1S/C16H17BrN2O/c1-10-5-11(2)7-13(6-10)18-16(20)15-8-12(17)9-19(15)14-3-4-14/h5-9,14H,3-4H2,1-2H3,(H,18,20)
InChIKeyPGSAEOIQBYDIPG-UHFFFAOYSA-N
XLogP4.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43640750
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43641616
4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 43641679
4-bromo-1-cyclopropyl-N-(4-hydroxy-2,5-dimethylphenyl)pyrrole-2-carboxamide
CID 106954519
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide
CID 62904631
4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 82858850
4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 64787688
4-bromo-1-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxamide
CID 43640893
4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222503
N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641280
4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 113433723

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide (CID 43641085) is 4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(Br)cn2C2CC2)c1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
The InChIKey is PGSAEOIQBYDIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10-5-11(2)7-13(6-10)18-16(20)15-8-12(17)9-19(15)14-3-4-14/h5-9,14H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43641085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).