4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide

C12H11BrN2O2 — CID 89380473

IUPAC4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\C1=CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O2/c13-10-5-3-9(4-6-10)12(16)15-14-8-11-2-1-7-17-11/h2-6,8H,1,7H2,(H,15,16)/b14-8-
InChIKeyANPKIHAIRSKZJG-ZSOIEALJSA-N
MW295.14 g/mol
LogP2.47
Rot. Bonds3

About 4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide

4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide (PubChem CID 89380473) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide
PubChem CID89380473
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\C1=CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O2/c13-10-5-3-9(4-6-10)12(16)15-14-8-11-2-1-7-17-11/h2-6,8H,1,7H2,(H,15,16)/b14-8-
InChIKeyANPKIHAIRSKZJG-ZSOIEALJSA-N
XLogP2.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
2-[(4-bromobenzoyl)hydrazinylidene]acetic acid
CID 71833055
4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide
CID 135651442
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 135458900
4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide
CID 93116099
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide iodide
CID 5334007
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide;hydroiodide
CID 126957688

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide (CID 89380473) is 4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide is O=C(N/N=C\C1=CCCO1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide?
The InChIKey is ANPKIHAIRSKZJG-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-10-5-3-9(4-6-10)12(16)15-14-8-11-2-1-7-17-11/h2-6,8H,1,7H2,(H,15,16)/b14-8-.
What are the key properties of 4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide?
4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide has a molecular weight of 295.14 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide is sourced from PubChem (CID 89380473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).