N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride

C16H21BrClN3O — CID 120648433

IUPACN-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(Br)cc1C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C16H20BrN3O.ClH/c1-19-12-14(17)10-15(19)16(21)20(9-5-8-18)11-13-6-3-2-4-7-13;/h2-4,6-7,10,12H,5,8-9,11,18H2,1H3;1H
InChIKeyHDFWDPVFOZDSGN-UHFFFAOYSA-N
MW386.72 g/mol
LogP3.20
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 120648433) has the molecular formula C16H21BrClN3O and a molecular weight of 386.72 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID120648433
Molecular FormulaC16H21BrClN3O
Molecular Weight386.72 g/mol
Exact Mass385.06
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(Br)cc1C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C16H20BrN3O.ClH/c1-19-12-14(17)10-15(19)16(21)20(9-5-8-18)11-13-6-3-2-4-7-13;/h2-4,6-7,10,12H,5,8-9,11,18H2,1H3;1H
InChIKeyHDFWDPVFOZDSGN-UHFFFAOYSA-N
XLogP3.20
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(3-aminopropyl)-N-benzyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120649222
N-benzyl-4-bromo-N-(cyanomethyl)-1-methylpyrrole-2-carboxamide
CID 61041488
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide
CID 112803367
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide
CID 107365765
N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide
CID 62920452
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride (CID 120648433) is N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride is Cl.Cn1cc(Br)cc1C(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is HDFWDPVFOZDSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O.ClH/c1-19-12-14(17)10-15(19)16(21)20(9-5-8-18)11-13-6-3-2-4-7-13;/h2-4,6-7,10,12H,5,8-9,11,18H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 386.72 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120648433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).