5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide

C16H19BrN2O2 — CID 3830834

IUPAC5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide
SMILESCOCC(C)n1c(-c2cccc(Br)c2)cc(C(N)=O)c1C
InChIInChI=1S/C16H19BrN2O2/c1-10(9-21-3)19-11(2)14(16(18)20)8-15(19)12-5-4-6-13(17)7-12/h4-8,10H,9H2,1-3H3,(H2,18,20)
InChIKeyQDUJDTISAGLGNW-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.53
Rot. Bonds5

About 5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide

5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide (PubChem CID 3830834) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide
PubChem CID3830834
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide
SMILESCOCC(C)n1c(-c2cccc(Br)c2)cc(C(N)=O)c1C
InChIInChI=1S/C16H19BrN2O2/c1-10(9-21-3)19-11(2)14(16(18)20)8-15(19)12-5-4-6-13(17)7-12/h4-8,10H,9H2,1-3H3,(H2,18,20)
InChIKeyQDUJDTISAGLGNW-UHFFFAOYSA-N
XLogP3.53
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-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

1-(1-methoxypropan-2-yl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3799832
5-(3-bromophenyl)-1-(3-ethoxypropyl)-2-methylpyrrole-3-carboxamide
CID 5160999
2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3723866
5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 3807484
5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 4993053
[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-bromobenzoate
CID 7775320
5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 3823576
2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide
CID 91672285
ethyl 5-(3-bromophenyl)-1-methylpyrazole-3-carboxylate
CID 57428257
5-(4-cyanophenyl)-2-methyl-1-pentan-3-ylpyrrole-3-carboxamide
CID 3811281
1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylethanone
CID 40510851
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 2096675

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide (CID 3830834) is 5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide is COCC(C)n1c(-c2cccc(Br)c2)cc(C(N)=O)c1C.
What is the InChIKey of 5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide?
The InChIKey is QDUJDTISAGLGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10(9-21-3)19-11(2)14(16(18)20)8-15(19)12-5-4-6-13(17)7-12/h4-8,10H,9H2,1-3H3,(H2,18,20).
What are the key properties of 5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide?
5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3830834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).