2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride

C8H13BrClN3O — CID 130660319

IUPAC2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCc1cc(Br)c[nH]1.Cl
InChIInChI=1S/C8H12BrN3O.ClH/c1-5(10)8(13)12-4-7-2-6(9)3-11-7;/h2-3,5,11H,4,10H2,1H3,(H,12,13);1H
InChIKeyIIGNRXHLUDXXKX-UHFFFAOYSA-N
MW282.57 g/mol
LogP1.16
Rot. Bonds3

About 2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride

2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride (PubChem CID 130660319) has the molecular formula C8H13BrClN3O and a molecular weight of 282.57 g/mol. Its IUPAC name is 2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride
PubChem CID130660319
Molecular FormulaC8H13BrClN3O
Molecular Weight282.57 g/mol
Exact Mass280.99
IUPAC Name2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCc1cc(Br)c[nH]1.Cl
InChIInChI=1S/C8H12BrN3O.ClH/c1-5(10)8(13)12-4-7-2-6(9)3-11-7;/h2-3,5,11H,4,10H2,1H3,(H,12,13);1H
InChIKeyIIGNRXHLUDXXKX-UHFFFAOYSA-N
XLogP1.16
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-1H-pyrrol-2-yl)methyl]-2-chloroacetamide
CID 130614550
(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride
CID 119300582
(2R)-2-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide
CID 119862463
N-[(4-bromo-1H-pyrrol-2-yl)methyl]ethanamine
CID 81470828
(2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide
CID 131008225
N-[(4-bromo-1H-pyrrol-2-yl)methyl]butan-2-amine
CID 81471205
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626
2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
CID 119297944
(2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119312695
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
2-amino-N-[(2-iodophenyl)methyl]propanamide
CID 77144463

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride (CID 130660319) is 2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride is CC(N)C(=O)NCc1cc(Br)c[nH]1.Cl.
What is the InChIKey of 2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride?
The InChIKey is IIGNRXHLUDXXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O.ClH/c1-5(10)8(13)12-4-7-2-6(9)3-11-7;/h2-3,5,11H,4,10H2,1H3,(H,12,13);1H.
What are the key properties of 2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride?
2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride has a molecular weight of 282.57 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 130660319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).