N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride

C15H19BrClN3O — CID 119527518

IUPACN-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride
SMILESCCn1cc(Br)cc1C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C15H18BrN3O.ClH/c1-2-19-10-12(16)8-14(19)15(20)18-9-13(17)11-6-4-3-5-7-11;/h3-8,10,13H,2,9,17H2,1H3,(H,18,20);1H
InChIKeyVGWKCFTUEZFISQ-UHFFFAOYSA-N
MW372.69 g/mol
LogP3.12
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119527518) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride
PubChem CID119527518
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC NameN-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride
SMILESCCn1cc(Br)cc1C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C15H18BrN3O.ClH/c1-2-19-10-12(16)8-14(19)15(20)18-9-13(17)11-6-4-3-5-7-11;/h3-8,10,13H,2,9,17H2,1H3,(H,18,20);1H
InChIKeyVGWKCFTUEZFISQ-UHFFFAOYSA-N
XLogP3.12
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 55105211
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512
4-bromo-N-[2-(dimethylamino)-3-methylbutyl]-1-ethylpyrrole-2-carboxamide
CID 61249801
4-bromo-1-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrrole-2-carboxamide
CID 120654243
4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 66106842
N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 55177350
4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62378773
4-bromo-N-[1-(3-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 63529315
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide
CID 114374319
N-(2-amino-2-phenylethyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 63120519
4-[[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 43639565

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride (CID 119527518) is N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride is CCn1cc(Br)cc1C(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is VGWKCFTUEZFISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O.ClH/c1-2-19-10-12(16)8-14(19)15(20)18-9-13(17)11-6-4-3-5-7-11;/h3-8,10,13H,2,9,17H2,1H3,(H,18,20);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 372.69 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119527518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).