N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide

C23H23N3O6 — CID 11539382

IUPACN'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide
SMILESCCCC(C)c1ccccc1-c1ccoc1C(=O)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C23H23N3O6/c1-3-6-14(2)16-7-4-5-8-17(16)18-11-12-32-21(18)23(29)25-24-22(28)15-9-10-20(27)19(13-15)26(30)31/h4-5,7-14,27H,3,6H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyMWDXORXCULYEMU-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.54
Rot. Bonds7

About N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide

N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide (PubChem CID 11539382) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide
PubChem CID11539382
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC NameN'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide
SMILESCCCC(C)c1ccccc1-c1ccoc1C(=O)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C23H23N3O6/c1-3-6-14(2)16-7-4-5-8-17(16)18-11-12-32-21(18)23(29)25-24-22(28)15-9-10-20(27)19(13-15)26(30)31/h4-5,7-14,27H,3,6H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyMWDXORXCULYEMU-UHFFFAOYSA-N
XLogP4.54
TPSA134.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-hydroxy-3-nitrobenzoyl)-3-(3-propan-2-ylphenyl)furan-2-carbohydrazide
CID 11690043
3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide
CID 152628740
N'-(4-hydroxy-3-nitrobenzoyl)-3-[4-[(4-methylphenoxy)methyl]phenyl]furan-2-carbohydrazide
CID 70805956
N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide
CID 11677505
N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride
CID 175272274
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 99717489
4-hydroxy-N-[(2S)-1-methoxybutan-2-yl]-3-nitrobenzamide
CID 99576799
4-hydroxy-N-(2-methoxy-1-phenylethyl)-3-nitrobenzamide
CID 102561312
trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium
CID 57316858
4-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
CID 99577391
4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)-3-nitrobenzamide
CID 102561314

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide?
The IUPAC name of N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide (CID 11539382) is N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide is CCCC(C)c1ccccc1-c1ccoc1C(=O)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide?
The InChIKey is MWDXORXCULYEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-3-6-14(2)16-7-4-5-8-17(16)18-11-12-32-21(18)23(29)25-24-22(28)15-9-10-20(27)19(13-15)26(30)31/h4-5,7-14,27H,3,6H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide?
N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide has a molecular weight of 437.45 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide is sourced from PubChem (CID 11539382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).