N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide

C17H22BrN3O — CID 119583586

IUPACN-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)CN)c(C)n1-c1ccccc1Br
InChIInChI=1S/C17H22BrN3O/c1-11-9-14(17(22)20(4)12(2)10-19)13(3)21(11)16-8-6-5-7-15(16)18/h5-9,12H,10,19H2,1-4H3
InChIKeyCNTVFFQEOGMJKU-UHFFFAOYSA-N
MW364.29 g/mol
LogP3.28
Rot. Bonds4

About N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide

N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 119583586) has the molecular formula C17H22BrN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
PubChem CID119583586
Molecular FormulaC17H22BrN3O
Molecular Weight364.29 g/mol
Exact Mass363.09
IUPAC NameN-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)CN)c(C)n1-c1ccccc1Br
InChIInChI=1S/C17H22BrN3O/c1-11-9-14(17(22)20(4)12(2)10-19)13(3)21(11)16-8-6-5-7-15(16)18/h5-9,12H,10,19H2,1-4H3
InChIKeyCNTVFFQEOGMJKU-UHFFFAOYSA-N
XLogP3.28
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-N,2,5-trimethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]pyrrole-3-carboxamide
CID 99807299
N-(1-aminopropan-2-yl)-N,2,5-trimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 119583884
N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 119583971
N-(2-aminoethyl)-1-(2-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119384070
N-(3-aminobutyl)-1-(2-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119497634
[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 20983267
(4-aminopiperidin-1-yl)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119375203
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide
CID 119584919
N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119584582
N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119583661

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide (CID 119583586) is N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide is Cc1cc(C(=O)N(C)C(C)CN)c(C)n1-c1ccccc1Br.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is CNTVFFQEOGMJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O/c1-11-9-14(17(22)20(4)12(2)10-19)13(3)21(11)16-8-6-5-7-15(16)18/h5-9,12H,10,19H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 364.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-(2-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 119583586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).