4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide

C13H11BrClN3O3 — CID 60955303

IUPAC4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H11BrClN3O3/c1-2-17-7-8(14)5-12(17)13(19)16-11-6-9(18(20)21)3-4-10(11)15/h3-7H,2H2,1H3,(H,16,19)
InChIKeyBYWZAEAYCALNOL-UHFFFAOYSA-N
MW372.61 g/mol
LogP4.08
Rot. Bonds4

About 4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide

4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 60955303) has the molecular formula C13H11BrClN3O3 and a molecular weight of 372.61 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID60955303
Molecular FormulaC13H11BrClN3O3
Molecular Weight372.61 g/mol
Exact Mass370.97
IUPAC Name4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H11BrClN3O3/c1-2-17-7-8(14)5-12(17)13(19)16-11-6-9(18(20)21)3-4-10(11)15/h3-7H,2H2,1H3,(H,16,19)
InChIKeyBYWZAEAYCALNOL-UHFFFAOYSA-N
XLogP4.08
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide
CID 19475346
4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955437
4-bromo-1-ethyl-N-(4-hydroxy-2-nitrophenyl)pyrrole-2-carboxamide
CID 60954792
4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 103811088
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 104880407
N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 62908559
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
CID 60955681
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 3483393

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide (CID 60955303) is 4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is BYWZAEAYCALNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O3/c1-2-17-7-8(14)5-12(17)13(19)16-11-6-9(18(20)21)3-4-10(11)15/h3-7H,2H2,1H3,(H,16,19).
What are the key properties of 4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 372.61 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 60955303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).