2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide

C14H12BrN3O3 — CID 46502016

IUPAC2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccoc1
InChIInChI=1S/C14H12BrN3O3/c15-12-4-2-1-3-11(12)14(20)16-8-13(19)18-17-7-10-5-6-21-9-10/h1-7,9H,8H2,(H,16,20)(H,18,19)/b17-7+
InChIKeyXQPLJAGRNAPMQQ-REZTVBANSA-N
MW350.17 g/mol
LogP1.92
Rot. Bonds5

About 2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide

2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 46502016) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID46502016
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccoc1
InChIInChI=1S/C14H12BrN3O3/c15-12-4-2-1-3-11(12)14(20)16-8-13(19)18-17-7-10-5-6-21-9-10/h1-7,9H,8H2,(H,16,20)(H,18,19)/b17-7+
InChIKeyXQPLJAGRNAPMQQ-REZTVBANSA-N
XLogP1.92
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 51.92
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

N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 570652
2-bromo-N-[2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4216043
2-bromo-N-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136720747
2-bromo-N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 2131603
[2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 6242414
2-bromo-N-[2-[2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 129441190
2-bromo-N-[2-[2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4265295
2-bromo-N-[2-[2-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3379679
[4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 3503807
2-fluoro-N-(furan-3-ylmethylideneamino)benzamide
CID 24819065
2-bromo-N-[2-oxo-2-[2-[(2,4,6-trinitrophenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 4914226
[4-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 6073668

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide (CID 46502016) is 2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccoc1.
What is the InChIKey of 2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is XQPLJAGRNAPMQQ-REZTVBANSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-12-4-2-1-3-11(12)14(20)16-8-13(19)18-17-7-10-5-6-21-9-10/h1-7,9H,8H2,(H,16,20)(H,18,19)/b17-7+.
What are the key properties of 2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 350.17 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 46502016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).