3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide

C12H10BrN3O — CID 135403168

IUPAC3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc[nH]1)c1cccc(Br)c1
InChIInChI=1S/C12H10BrN3O/c13-10-4-1-3-9(7-10)12(17)16-15-8-11-5-2-6-14-11/h1-8,14H,(H,16,17)/b15-8-
InChIKeyPRVOGODONYSDRI-NVNXTCNLSA-N
MW292.14 g/mol
LogP2.54
Rot. Bonds3

About 3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide

3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide (PubChem CID 135403168) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
PubChem CID135403168
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc[nH]1)c1cccc(Br)c1
InChIInChI=1S/C12H10BrN3O/c13-10-4-1-3-9(7-10)12(17)16-15-8-11-5-2-6-14-11/h1-8,14H,(H,16,17)/b15-8-
InChIKeyPRVOGODONYSDRI-NVNXTCNLSA-N
XLogP2.54
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135645943
3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135801543
3-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135425021
3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137054719
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
CID 3586825
N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 135444093
4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135521573
4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135696885
3-chloro-4-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137261799
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide
CID 71951581

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide (CID 135403168) is 3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide is O=C(N/N=C\c1ccc[nH]1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The InChIKey is PRVOGODONYSDRI-NVNXTCNLSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-10-4-1-3-9(7-10)12(17)16-15-8-11-5-2-6-14-11/h1-8,14H,(H,16,17)/b15-8-.
What are the key properties of 3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide?
3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide has a molecular weight of 292.14 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 135403168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).