4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

C15H16BrN3O3 — CID 8982923

IUPAC4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc(Br)c[nH]2)ccc1OC
InChIInChI=1S/C15H16BrN3O3/c1-3-22-14-6-10(4-5-13(14)21-2)8-18-19-15(20)12-7-11(16)9-17-12/h4-9,17H,3H2,1-2H3,(H,19,20)/b18-8-
InChIKeyNLVUTCMRCPXGNG-LSCVHKIXSA-N
MW366.22 g/mol
LogP2.95
Rot. Bonds6

About 4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 8982923) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID8982923
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc(Br)c[nH]2)ccc1OC
InChIInChI=1S/C15H16BrN3O3/c1-3-22-14-6-10(4-5-13(14)21-2)8-18-19-15(20)12-7-11(16)9-17-12/h4-9,17H,3H2,1-2H3,(H,19,20)/b18-8-
InChIKeyNLVUTCMRCPXGNG-LSCVHKIXSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 8982987
4-bromo-N-[(E)-(3,4-dihydroxy-5-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846615
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8983110
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 9120925
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 17459532
N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026718
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126309366
3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512153
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 2853456
4,5-dibromo-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 86766228

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (CID 8982923) is 4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is CCOc1cc(/C=N\NC(=O)c2cc(Br)c[nH]2)ccc1OC.
What is the InChIKey of 4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is NLVUTCMRCPXGNG-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-3-22-14-6-10(4-5-13(14)21-2)8-18-19-15(20)12-7-11(16)9-17-12/h4-9,17H,3H2,1-2H3,(H,19,20)/b18-8-.
What are the key properties of 4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 8982923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).