4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide

C14H16BrN3O — CID 43805818

IUPAC4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C14H16BrN3O/c1-3-18-8-11(16)7-13(18)14(19)17-12-6-10(15)5-4-9(12)2/h4-8H,3,16H2,1-2H3,(H,17,19)
InChIKeyKETFEZZIKKVMGA-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.41
Rot. Bonds3

About 4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide

4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 43805818) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID43805818
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C14H16BrN3O/c1-3-18-8-11(16)7-13(18)14(19)17-12-6-10(15)5-4-9(12)2/h4-8H,3,16H2,1-2H3,(H,17,19)
InChIKeyKETFEZZIKKVMGA-UHFFFAOYSA-N
XLogP3.41
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816
4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
4-amino-1-ethyl-N-(3-methyl-2-pyridinyl)pyrrole-2-carboxamide
CID 43643038
4-amino-N-[(3-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400973
4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 104880407
4-amino-1-ethyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61128385
4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
CID 43643246
4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642936
N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61061508
4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 43642862
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide (CID 43805818) is 4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1cc(Br)ccc1C.
What is the InChIKey of 4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is KETFEZZIKKVMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-18-8-11(16)7-13(18)14(19)17-12-6-10(15)5-4-9(12)2/h4-8H,3,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide?
4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 43805818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).