5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide

C7H8BrN3O3 — CID 10378007

IUPAC5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
SMILESNNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C7H8BrN3O3/c8-5-2-1-4(14-5)7(13)10-3-6(12)11-9/h1-2H,3,9H2,(H,10,13)(H,11,12)
InChIKeyJLQJMCLXLLMSFT-UHFFFAOYSA-N
MW262.06 g/mol
LogP-0.24
Rot. Bonds3

About 5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide

5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide (PubChem CID 10378007) has the molecular formula C7H8BrN3O3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
PubChem CID10378007
Molecular FormulaC7H8BrN3O3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
SMILESNNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C7H8BrN3O3/c8-5-2-1-4(14-5)7(13)10-3-6(12)11-9/h1-2H,3,9H2,(H,10,13)(H,11,12)
InChIKeyJLQJMCLXLLMSFT-UHFFFAOYSA-N
XLogP-0.24
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872
5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide
CID 81434793
2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methylpropanoic acid
CID 61263565
methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 43406149
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427115
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide (CID 10378007) is 5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide is NNC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide?
The InChIKey is JLQJMCLXLLMSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O3/c8-5-2-1-4(14-5)7(13)10-3-6(12)11-9/h1-2H,3,9H2,(H,10,13)(H,11,12).
What are the key properties of 5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide?
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide has a molecular weight of 262.06 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide is sourced from PubChem (CID 10378007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).