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

C13H13BrN2O2 — CID 60954936

IUPAC4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccccc1CO
InChIInChI=1S/C13H13BrN2O2/c1-16-7-10(14)6-12(16)13(18)15-11-5-3-2-4-9(11)8-17/h2-7,17H,8H2,1H3,(H,15,18)
InChIKeyISWRTAYTAASVPQ-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.53
Rot. Bonds3

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

4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 60954936) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID60954936
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccccc1CO
InChIInChI=1S/C13H13BrN2O2/c1-16-7-10(14)6-12(16)13(18)15-11-5-3-2-4-9(11)8-17/h2-7,17H,8H2,1H3,(H,15,18)
InChIKeyISWRTAYTAASVPQ-UHFFFAOYSA-N
XLogP2.53
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
CID 43410998
4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 60955186
4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 81003777
4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide
CID 60698285
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021
4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 63525463
4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411034
4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61497972
4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 60955987
N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 64884680
4-bromo-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrole-2-carboxamide
CID 60956274
4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride
CID 119438837

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 60954936) is 4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1ccccc1CO.
What is the InChIKey of 4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is ISWRTAYTAASVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-16-7-10(14)6-12(16)13(18)15-11-5-3-2-4-9(11)8-17/h2-7,17H,8H2,1H3,(H,15,18).
What are the key properties of 4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60954936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).