1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide

C16H20BrN3O — CID 119503905

IUPAC1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide
SMILESCNCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C16H20BrN3O/c1-11-10-15(16(21)19-9-8-18-3)12(2)20(11)14-6-4-13(17)5-7-14/h4-7,10,18H,8-9H2,1-3H3,(H,19,21)
InChIKeyOOJOYONQSCKQIY-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.81
Rot. Bonds5

About 1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide

1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide (PubChem CID 119503905) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide
PubChem CID119503905
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide
SMILESCNCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C16H20BrN3O/c1-11-10-15(16(21)19-9-8-18-3)12(2)20(11)14-6-4-13(17)5-7-14/h4-7,10,18H,8-9H2,1-3H3,(H,19,21)
InChIKeyOOJOYONQSCKQIY-UHFFFAOYSA-N
XLogP2.81
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide 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

1-(4-fluorophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide;hydrochloride
CID 119502796
1-(4-bromophenyl)-N-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55532311
1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide
CID 119503745
2,5-dimethyl-N-[2-(methylamino)ethyl]-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119502830
1-(4-fluorophenyl)-2,5-dimethyl-N-[3-(methylamino)propyl]pyrrole-3-carboxamide;hydrochloride
CID 119432577
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
N-(3-methoxypropyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7709094
1-(4-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119453825
methyl 2-[[1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbonyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580724
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 31859819
N-bis[[(2S)-butan-2-yl]amino]phosphoryl-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 98389247
1-(4-methoxyphenyl)-2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrole-3-carboxamide
CID 35353199

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide (CID 119503905) is 1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide is CNCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C.
What is the InChIKey of 1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide?
The InChIKey is OOJOYONQSCKQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-11-10-15(16(21)19-9-8-18-3)12(2)20(11)14-6-4-13(17)5-7-14/h4-7,10,18H,8-9H2,1-3H3,(H,19,21).
What are the key properties of 1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide?
1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 119503905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).