N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

C13H13BrN2O3 — CID 89489409

IUPACN-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(Br)c2)=C(O)C1=O
InChIInChI=1S/C13H13BrN2O3/c1-16-7-10(11(17)13(16)19)12(18)15-6-8-3-2-4-9(14)5-8/h2-5,17H,6-7H2,1H3,(H,15,18)
InChIKeyNZNKGSKNIKACPE-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.35
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89489409) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89489409
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC NameN-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(Br)c2)=C(O)C1=O
InChIInChI=1S/C13H13BrN2O3/c1-16-7-10(11(17)13(16)19)12(18)15-6-8-3-2-4-9(14)5-8/h2-5,17H,6-7H2,1H3,(H,15,18)
InChIKeyNZNKGSKNIKACPE-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
CID 90336602
4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
CID 90330697
N-[[4-(3-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330583
4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one
CID 122447898
N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330559
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 61410155
N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61410236
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917207
4-acetyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898818

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 89489409) is N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCc2cccc(Br)c2)=C(O)C1=O.
What is the InChIKey of N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is NZNKGSKNIKACPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-16-7-10(11(17)13(16)19)12(18)15-6-8-3-2-4-9(14)5-8/h2-5,17H,6-7H2,1H3,(H,15,18).
What are the key properties of N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide?
N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 325.16 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89489409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).