4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide

C11H9Br2N3O — CID 54955471

IUPAC4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C11H9Br2N3O/c12-6-1-2-8(13)9(3-6)16-11(17)10-4-7(14)5-15-10/h1-5,15H,14H2,(H,16,17)
InChIKeyVCXZDFHHINUCAM-UHFFFAOYSA-N
MW359.02 g/mol
LogP3.37
Rot. Bonds2

About 4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 54955471) has the molecular formula C11H9Br2N3O and a molecular weight of 359.02 g/mol. Its IUPAC name is 4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide
PubChem CID54955471
Molecular FormulaC11H9Br2N3O
Molecular Weight359.02 g/mol
Exact Mass356.91
IUPAC Name4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C11H9Br2N3O/c12-6-1-2-8(13)9(3-6)16-11(17)10-4-7(14)5-15-10/h1-5,15H,14H2,(H,16,17)
InChIKeyVCXZDFHHINUCAM-UHFFFAOYSA-N
XLogP3.37
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643363
4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 43643192
4-bromo-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 107812319
3-amino-N-(2,5-dibromophenyl)benzamide
CID 43714178
4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 43643269
4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
CID 43643239
4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 43642811
5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 62072760
5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 103296247

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide (CID 54955471) is 4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2cc(Br)ccc2Br)c1.
What is the InChIKey of 4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is VCXZDFHHINUCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O/c12-6-1-2-8(13)9(3-6)16-11(17)10-4-7(14)5-15-10/h1-5,15H,14H2,(H,16,17).
What are the key properties of 4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 359.02 g/mol, XLogP of 3.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 54955471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).