4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide

C12H11Br2N3O — CID 43643269

IUPAC4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)c[nH]2)c(Br)c1
InChIInChI=1S/C12H11Br2N3O/c1-6-2-8(13)11(9(14)3-6)17-12(18)10-4-7(15)5-16-10/h2-5,16H,15H2,1H3,(H,17,18)
InChIKeyRBANOAKZAYBFIC-UHFFFAOYSA-N
MW373.05 g/mol
LogP3.68
Rot. Bonds2

About 4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43643269) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID43643269
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)c[nH]2)c(Br)c1
InChIInChI=1S/C12H11Br2N3O/c1-6-2-8(13)11(9(14)3-6)17-12(18)10-4-7(15)5-16-10/h2-5,16H,15H2,1H3,(H,17,18)
InChIKeyRBANOAKZAYBFIC-UHFFFAOYSA-N
XLogP3.68
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64525402
4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643281
4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide
CID 54955471
4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
CID 43642713
4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 43643192
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950
N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 116813556
4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 61117898
4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643363
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide
CID 65487175

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide (CID 43643269) is 4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide is Cc1cc(Br)c(NC(=O)c2cc(N)c[nH]2)c(Br)c1.
What is the InChIKey of 4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is RBANOAKZAYBFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-6-2-8(13)11(9(14)3-6)17-12(18)10-4-7(15)5-16-10/h2-5,16H,15H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 373.05 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).