2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide

C21H16N4O5 — CID 100817526

IUPAC2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C21H16N4O5/c1-12-19(20(26)23-22)15-7-2-3-8-16(15)24(12)21(27)18-10-9-17(30-18)13-5-4-6-14(11-13)25(28)29/h2-11H,22H2,1H3,(H,23,26)
InChIKeyZIRFYTVHOPKSHE-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.41
Rot. Bonds4

About 2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide

2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide (PubChem CID 100817526) has the molecular formula C21H16N4O5 and a molecular weight of 404.38 g/mol. Its IUPAC name is 2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide
PubChem CID100817526
Molecular FormulaC21H16N4O5
Molecular Weight404.38 g/mol
Exact Mass404.11
IUPAC Name2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C21H16N4O5/c1-12-19(20(26)23-22)15-7-2-3-8-16(15)24(12)21(27)18-10-9-17(30-18)13-5-4-6-14(11-13)25(28)29/h2-11H,22H2,1H3,(H,23,26)
InChIKeyZIRFYTVHOPKSHE-UHFFFAOYSA-N
XLogP3.41
TPSA133.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide
CID 91690777
2-methyl-1-[5-(2-methyl-5-nitrophenyl)furan-2-carbonyl]indole-3-carboxylic acid
CID 100817553
2-amino-1-[5-(3-nitrophenyl)furan-2-yl]ethanone
CID 170860008
methyl 1-(2-chloro-4-nitrobenzoyl)-2-methylindole-3-carboxylate
CID 91690839
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
2-methyl-1-[2-(4-nitrophenyl)acetyl]indole-3-carboxylic acid
CID 91690300
5-(3-nitrophenyl)furan-2-carbothioamide
CID 82118861
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 738264
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5262323
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
The IUPAC name of 2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide (CID 100817526) is 2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide.
What is the SMILES notation for 2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
The canonical SMILES for 2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide is Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
The InChIKey is ZIRFYTVHOPKSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O5/c1-12-19(20(26)23-22)15-7-2-3-8-16(15)24(12)21(27)18-10-9-17(30-18)13-5-4-6-14(11-13)25(28)29/h2-11H,22H2,1H3,(H,23,26).
What are the key properties of 2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide has a molecular weight of 404.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide is sourced from PubChem (CID 100817526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).