4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride

C16H21BrClN3O — CID 119438837

IUPAC4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cc(Br)cn1CC.Cl
InChIInChI=1S/C16H20BrN3O.ClH/c1-3-18-10-12-7-5-6-8-14(12)19-16(21)15-9-13(17)11-20(15)4-2;/h5-9,11,18H,3-4,10H2,1-2H3,(H,19,21);1H
InChIKeyFZXDTJCYXQPCEP-UHFFFAOYSA-N
MW386.72 g/mol
LogP4.05
Rot. Bonds6

About 4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride

4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride (PubChem CID 119438837) has the molecular formula C16H21BrClN3O and a molecular weight of 386.72 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride
PubChem CID119438837
Molecular FormulaC16H21BrClN3O
Molecular Weight386.72 g/mol
Exact Mass385.06
IUPAC Name4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cc(Br)cn1CC.Cl
InChIInChI=1S/C16H20BrN3O.ClH/c1-3-18-10-12-7-5-6-8-14(12)19-16(21)15-9-13(17)11-20(15)4-2;/h5-9,11,18H,3-4,10H2,1-2H3,(H,19,21);1H
InChIKeyFZXDTJCYXQPCEP-UHFFFAOYSA-N
XLogP4.05
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.72
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 60955987
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 63525463
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43639581
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43601475
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 65311478
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 103753374
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
CID 43640837

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride (CID 119438837) is 4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride is CCNCc1ccccc1NC(=O)c1cc(Br)cn1CC.Cl.
What is the InChIKey of 4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride?
The InChIKey is FZXDTJCYXQPCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O.ClH/c1-3-18-10-12-7-5-6-8-14(12)19-16(21)15-9-13(17)11-20(15)4-2;/h5-9,11,18H,3-4,10H2,1-2H3,(H,19,21);1H.
What are the key properties of 4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride?
4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride has a molecular weight of 386.72 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119438837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).