4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide

C16H17BrN2O2 — CID 61018427

IUPAC4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H17BrN2O2/c17-12-9-15(19(10-12)13-3-4-13)16(21)18-8-7-11-1-5-14(20)6-2-11/h1-2,5-6,9-10,13,20H,3-4,7-8H2,(H,18,21)
InChIKeyUOZIZHHQNPPMII-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.26
Rot. Bonds5

About 4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 61018427) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide
PubChem CID61018427
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H17BrN2O2/c17-12-9-15(19(10-12)13-3-4-13)16(21)18-8-7-11-1-5-14(20)6-2-11/h1-2,5-6,9-10,13,20H,3-4,7-8H2,(H,18,21)
InChIKeyUOZIZHHQNPPMII-UHFFFAOYSA-N
XLogP3.26
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 80683115
4-bromo-1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrrole-2-carboxamide
CID 103007204
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 106174089
4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222503
4-bromo-N-[2-(4-hydroxyphenyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61018298
4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
CID 43641446
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-[2-(dimethylcarbamoylamino)ethyl]pyrrole-2-carboxamide
CID 83121332
4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43641616
4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 43642172

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide (CID 61018427) is 4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide is O=C(NCCc1ccc(O)cc1)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is UOZIZHHQNPPMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-12-9-15(19(10-12)13-3-4-13)16(21)18-8-7-11-1-5-14(20)6-2-11/h1-2,5-6,9-10,13,20H,3-4,7-8H2,(H,18,21).
What are the key properties of 4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 61018427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).