N'-acetyl-5-bromofuran-3-carbohydrazide

C7H7BrN2O3 — CID 130748449

IUPACN'-acetyl-5-bromofuran-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1coc(Br)c1
InChIInChI=1S/C7H7BrN2O3/c1-4(11)9-10-7(12)5-2-6(8)13-3-5/h2-3H,1H3,(H,9,11)(H,10,12)
InChIKeyNTCKHCLAAQPHRC-UHFFFAOYSA-N
MW247.05 g/mol
LogP0.82
Rot. Bonds1

About N'-acetyl-5-bromofuran-3-carbohydrazide

N'-acetyl-5-bromofuran-3-carbohydrazide (PubChem CID 130748449) has the molecular formula C7H7BrN2O3 and a molecular weight of 247.05 g/mol. Its IUPAC name is N'-acetyl-5-bromofuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-5-bromofuran-3-carbohydrazide
PubChem CID130748449
Molecular FormulaC7H7BrN2O3
Molecular Weight247.05 g/mol
Exact Mass245.96
IUPAC NameN'-acetyl-5-bromofuran-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1coc(Br)c1
InChIInChI=1S/C7H7BrN2O3/c1-4(11)9-10-7(12)5-2-6(8)13-3-5/h2-3H,1H3,(H,9,11)(H,10,12)
InChIKeyNTCKHCLAAQPHRC-UHFFFAOYSA-N
XLogP0.82
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 50.82
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

5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943
N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide
CID 119627230
(2S)-2-[(5-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 119360100
5-bromofuran-3-carboxamide
CID 10821494
3-[(5-bromofuran-3-carbonyl)amino]-2-methylpropanoic acid
CID 115731390
5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide
CID 131041505
(2S)-2-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119361530
4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204071
5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 130703611
5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide
CID 130697664
N'-acetyl-5-methylthiophene-3-carbohydrazide
CID 131134139
5-bromo-N-(2-methylthiolan-3-yl)furan-3-carboxamide
CID 130748381

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-5-bromofuran-3-carbohydrazide?
The IUPAC name of N'-acetyl-5-bromofuran-3-carbohydrazide (CID 130748449) is N'-acetyl-5-bromofuran-3-carbohydrazide.
What is the SMILES notation for N'-acetyl-5-bromofuran-3-carbohydrazide?
The canonical SMILES for N'-acetyl-5-bromofuran-3-carbohydrazide is CC(=O)NNC(=O)c1coc(Br)c1.
What is the InChIKey of N'-acetyl-5-bromofuran-3-carbohydrazide?
The InChIKey is NTCKHCLAAQPHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3/c1-4(11)9-10-7(12)5-2-6(8)13-3-5/h2-3H,1H3,(H,9,11)(H,10,12).
What are the key properties of N'-acetyl-5-bromofuran-3-carbohydrazide?
N'-acetyl-5-bromofuran-3-carbohydrazide has a molecular weight of 247.05 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-5-bromofuran-3-carbohydrazide is sourced from PubChem (CID 130748449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).