1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide

C20H18N4O6 — CID 1011836

IUPAC1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C20H18N4O6/c1-11-15(7-9-29-11)19(27)23-21-17(25)13-3-5-14(6-4-13)18(26)22-24-20(28)16-8-10-30-12(16)2/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyIPVNMFYWVSPDFW-UHFFFAOYSA-N
MW410.39 g/mol
LogP1.64
Rot. Bonds4

About 1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide

1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide (PubChem CID 1011836) has the molecular formula C20H18N4O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is 1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide.

Molecular Properties

Compound Name1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
PubChem CID1011836
Molecular FormulaC20H18N4O6
Molecular Weight410.39 g/mol
Exact Mass410.12
IUPAC Name1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C20H18N4O6/c1-11-15(7-9-29-11)19(27)23-21-17(25)13-3-5-14(6-4-13)18(26)22-24-20(28)16-8-10-30-12(16)2/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyIPVNMFYWVSPDFW-UHFFFAOYSA-N
XLogP1.64
TPSA142.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea
CID 51113394
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663401
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide
CID 18104377
2,3-dimethyl-N'-(2-methylfuran-3-carbonyl)-1H-indole-5-carbohydrazide
CID 26849494
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide
CID 27171508
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663405
2-methyl-N'-(3-phenoxybenzoyl)furan-3-carbohydrazide
CID 7809073
N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 7809072
N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide
CID 30137081

Frequently Asked Questions

What is the IUPAC name of 1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide?
The IUPAC name of 1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide (CID 1011836) is 1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide.
What is the SMILES notation for 1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide?
The canonical SMILES for 1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide is Cc1occc1C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)c2ccoc2C)cc1.
What is the InChIKey of 1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide?
The InChIKey is IPVNMFYWVSPDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O6/c1-11-15(7-9-29-11)19(27)23-21-17(25)13-3-5-14(6-4-13)18(26)22-24-20(28)16-8-10-30-12(16)2/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide?
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide has a molecular weight of 410.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide is sourced from PubChem (CID 1011836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).