4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide

C17H19BrN2O — CID 43641616

IUPAC4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
SMILESCCCc1ccc(NC(=O)c2cc(Br)cn2C2CC2)cc1
InChIInChI=1S/C17H19BrN2O/c1-2-3-12-4-6-14(7-5-12)19-17(21)16-10-13(18)11-20(16)15-8-9-15/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,19,21)
InChIKeyUAHRNFZWIUGDCQ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.79
Rot. Bonds5

About 4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide (PubChem CID 43641616) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
PubChem CID43641616
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
SMILESCCCc1ccc(NC(=O)c2cc(Br)cn2C2CC2)cc1
InChIInChI=1S/C17H19BrN2O/c1-2-3-12-4-6-14(7-5-12)19-17(21)16-10-13(18)11-20(16)15-8-9-15/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,19,21)
InChIKeyUAHRNFZWIUGDCQ-UHFFFAOYSA-N
XLogP4.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222503
4-bromo-1-methyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43410940
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide
CID 43642381
4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 43641679
4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43640750
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-chloro-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222329
4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide
CID 61018427
4-bromo-1-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxamide
CID 43640893

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide (CID 43641616) is 4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide is CCCc1ccc(NC(=O)c2cc(Br)cn2C2CC2)cc1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide?
The InChIKey is UAHRNFZWIUGDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-3-12-4-6-14(7-5-12)19-17(21)16-10-13(18)11-20(16)15-8-9-15/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,19,21).
What are the key properties of 4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide has a molecular weight of 347.26 g/mol, XLogP of 4.79, 5 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-(4-propylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43641616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).