4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide

C15H15BrN2O2 — CID 60955186

IUPAC4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1CO)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H15BrN2O2/c16-11-7-14(18(8-11)12-5-6-12)15(20)17-13-4-2-1-3-10(13)9-19/h1-4,7-8,12,19H,5-6,9H2,(H,17,20)
InChIKeyUOPWCRVOEJIFKM-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.33
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 60955186) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
PubChem CID60955186
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1CO)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H15BrN2O2/c16-11-7-14(18(8-11)12-5-6-12)15(20)17-13-4-2-1-3-10(13)9-19/h1-4,7-8,12,19H,5-6,9H2,(H,17,20)
InChIKeyUOPWCRVOEJIFKM-UHFFFAOYSA-N
XLogP3.33
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
CID 60954928
4-bromo-1-cyclopropyl-N-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 79044242
4-bromo-1-cyclopropyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62814713
4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222503
4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 43640775
4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62812529
4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 63327596
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-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43641616
N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641280

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide (CID 60955186) is 4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide is O=C(Nc1ccccc1CO)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is UOPWCRVOEJIFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-11-7-14(18(8-11)12-5-6-12)15(20)17-13-4-2-1-3-10(13)9-19/h1-4,7-8,12,19H,5-6,9H2,(H,17,20).
What are the key properties of 4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.33, 4 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-(hydroxymethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 60955186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).