4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide

C11H9BrClN3O — CID 43643363

IUPAC4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C11H9BrClN3O/c12-6-1-2-9(8(13)3-6)16-11(17)10-4-7(14)5-15-10/h1-5,15H,14H2,(H,16,17)
InChIKeyPBTLXJHBSSSAOR-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.27
Rot. Bonds2

About 4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43643363) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
PubChem CID43643363
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC Name4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C11H9BrClN3O/c12-6-1-2-9(8(13)3-6)16-11(17)10-4-7(14)5-15-10/h1-5,15H,14H2,(H,16,17)
InChIKeyPBTLXJHBSSSAOR-UHFFFAOYSA-N
XLogP3.27
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide
CID 54955471
4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 36679405
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 43643192
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
(4-bromo-2-chlorophenyl)urea
CID 60759349
4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643281
4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410594
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide (CID 43643363) is 4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is PBTLXJHBSSSAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c12-6-1-2-9(8(13)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-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 314.57 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).