4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide

C11H17BrN2O — CID 43410885

IUPAC4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H17BrN2O/c1-3-5-14(6-4-2)11(15)10-7-9(12)8-13-10/h7-8,13H,3-6H2,1-2H3
InChIKeyURCLOYZFFFRYCM-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.04
Rot. Bonds5

About 4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide

4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide (PubChem CID 43410885) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide
PubChem CID43410885
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H17BrN2O/c1-3-5-14(6-4-2)11(15)10-7-9(12)8-13-10/h7-8,13H,3-6H2,1-2H3
InChIKeyURCLOYZFFFRYCM-UHFFFAOYSA-N
XLogP3.04
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N,N-dipropyl-1H-pyrrole-2-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

4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 106628202
2-[(2-amino-2-oxoethyl)-(4-bromo-1H-pyrrole-2-carbonyl)amino]acetic acid
CID 107434512
N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 47002987
4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 79380607
4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 60667423
4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 54877994
4-bromo-N,N-bis(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 31840109
4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 55026442
ethyl 4-bromo-1H-pyrrole-2-carboxylate
CID 5324607
3,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 107974886
4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 60955759
4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 61107667

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide (CID 43410885) is 4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide is CCCN(CCC)C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide?
The InChIKey is URCLOYZFFFRYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-3-5-14(6-4-2)11(15)10-7-9(12)8-13-10/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide?
4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide has a molecular weight of 273.17 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43410885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).