N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

C15H13BrN2O3 — CID 43641280

IUPACN-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H13BrN2O3/c16-9-5-12(18(7-9)11-2-3-11)15(19)17-10-1-4-13-14(6-10)21-8-20-13/h1,4-7,11H,2-3,8H2,(H,17,19)
InChIKeyIUSHQWJJCYNYEK-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.57
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 43641280) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
PubChem CID43641280
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H13BrN2O3/c16-9-5-12(18(7-9)11-2-3-11)15(19)17-10-1-4-13-14(6-10)21-8-20-13/h1,4-7,11H,2-3,8H2,(H,17,19)
InChIKeyIUSHQWJJCYNYEK-UHFFFAOYSA-N
XLogP3.57
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxamide
CID 43640893
4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 64787688
4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43640750
4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222503
N-(1,3-benzothiazol-6-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 107805814
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044
4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide
CID 43640546
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985
4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 60955186
N-(1,3-benzodioxol-5-yl)-3-methylimidazole-4-carboxamide
CID 110863230
4-bromo-1-cyclopropyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62814713
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide
CID 62904631

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (CID 43641280) is N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(Br)cn1C1CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is IUSHQWJJCYNYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-9-5-12(18(7-9)11-2-3-11)15(19)17-10-1-4-13-14(6-10)21-8-20-13/h1,4-7,11H,2-3,8H2,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 349.18 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 43641280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).