5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide

C17H21BrN2O2 — CID 5020639

IUPAC5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
SMILESCOCCCn1c(C)c(C(N)=O)c(C)c1-c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O2/c1-11-15(17(19)21)12(2)20(9-4-10-22-3)16(11)13-5-7-14(18)8-6-13/h5-8H,4,9-10H2,1-3H3,(H2,19,21)
InChIKeyKLZNRNBZANWUAM-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.67
Rot. Bonds6

About 5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide

5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide (PubChem CID 5020639) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
PubChem CID5020639
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
SMILESCOCCCn1c(C)c(C(N)=O)c(C)c1-c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O2/c1-11-15(17(19)21)12(2)20(9-4-10-22-3)16(11)13-5-7-14(18)8-6-13/h5-8H,4,9-10H2,1-3H3,(H2,19,21)
InChIKeyKLZNRNBZANWUAM-UHFFFAOYSA-N
XLogP3.67
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
CID 3849913
4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide
CID 91672920
5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide
CID 3697692
4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3843034
4-bromo-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxamide
CID 91672928
1-(4-bromophenyl)-2-[[5-(4-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 5164487
ethyl 1-butyl-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
CID 102196273
5-(4-bromobenzoyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117082
4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3816605
1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide
CID 3416100
methyl 3-[3-(4-bromophenyl)-4-carbamoyl-5-methyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3711390
4-bromo-N'-[2-[[4-(3-methoxypropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 171983448

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide (CID 5020639) is 5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide is COCCCn1c(C)c(C(N)=O)c(C)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide?
The InChIKey is KLZNRNBZANWUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-11-15(17(19)21)12(2)20(9-4-10-22-3)16(11)13-5-7-14(18)8-6-13/h5-8H,4,9-10H2,1-3H3,(H2,19,21).
What are the key properties of 5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide?
5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide has a molecular weight of 365.27 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 5020639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).