N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide

C11H9ClN2O4 — CID 30137081

IUPACN'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H9ClN2O4/c1-6-7(4-5-17-6)10(15)13-14-11(16)8-2-3-9(12)18-8/h2-5H,1H3,(H,13,15)(H,14,16)
InChIKeySWBLXHPQRHXJBN-UHFFFAOYSA-N
MW268.66 g/mol
LogP1.91
Rot. Bonds2

About N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide

N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide (PubChem CID 30137081) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide
PubChem CID30137081
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC NameN'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H9ClN2O4/c1-6-7(4-5-17-6)10(15)13-14-11(16)8-2-3-9(12)18-8/h2-5H,1H3,(H,13,15)(H,14,16)
InChIKeySWBLXHPQRHXJBN-UHFFFAOYSA-N
XLogP1.91
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 7809072
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea
CID 51113394
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide
CID 7809092
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 61262797
2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide
CID 31287028
2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid
CID 28791203
5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 5059082

Frequently Asked Questions

What is the IUPAC name of N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide (CID 30137081) is N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)c1ccc(Cl)o1.
What is the InChIKey of N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is SWBLXHPQRHXJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c1-6-7(4-5-17-6)10(15)13-14-11(16)8-2-3-9(12)18-8/h2-5H,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide?
N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 268.66 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 30137081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).