N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide

C13H11BrN2O2 — CID 4620798

IUPACN'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide
SMILESC=C(NNC(=O)c1ccco1)c1cccc(Br)c1
InChIInChI=1S/C13H11BrN2O2/c1-9(10-4-2-5-11(14)8-10)15-16-13(17)12-6-3-7-18-12/h2-8,15H,1H2,(H,16,17)
InChIKeyCVJSWUBNIPTOHX-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.95
Rot. Bonds4

About N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide

N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide (PubChem CID 4620798) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide
PubChem CID4620798
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide
SMILESC=C(NNC(=O)c1ccco1)c1cccc(Br)c1
InChIInChI=1S/C13H11BrN2O2/c1-9(10-4-2-5-11(14)8-10)15-16-13(17)12-6-3-7-18-12/h2-8,15H,1H2,(H,16,17)
InChIKeyCVJSWUBNIPTOHX-UHFFFAOYSA-N
XLogP2.95
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
N'-(3-cyanobenzoyl)furan-2-carbohydrazide
CID 9477248
N'-(4-bromophenyl)furan-2-carbohydrazide
CID 4287494
N'-(3,5-difluorobenzoyl)furan-2-carbohydrazide
CID 6711004
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 24557824
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387892
3-bromo-N-[cyano(furan-2-yl)methyl]benzamide
CID 82124792
1-[1-(3-bromophenyl)ethenylamino]-3-(2-phenylethyl)thiourea
CID 2357429
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
N-[4-(3-bromophenoxy)but-2-ynyl]furan-2-carboxamide
CID 90576539
5-bromo-2-(furan-2-carbonylamino)benzoate
CID 7046155

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide?
The IUPAC name of N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide (CID 4620798) is N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide is C=C(NNC(=O)c1ccco1)c1cccc(Br)c1.
What is the InChIKey of N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide?
The InChIKey is CVJSWUBNIPTOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-9(10-4-2-5-11(14)8-10)15-16-13(17)12-6-3-7-18-12/h2-8,15H,1H2,(H,16,17).
What are the key properties of N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide?
N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide has a molecular weight of 307.15 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide is sourced from PubChem (CID 4620798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).