2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide

C18H16N4O5 — CID 99971144

IUPAC2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H16N4O5/c1-11-17(18(24)20-19)14-4-2-3-5-15(14)21(11)16(23)10-27-13-8-6-12(7-9-13)22(25)26/h2-9H,10,19H2,1H3,(H,20,24)
InChIKeyOFLZTVKJSGVYDK-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide

2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide (PubChem CID 99971144) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide
PubChem CID99971144
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H16N4O5/c1-11-17(18(24)20-19)14-4-2-3-5-15(14)21(11)16(23)10-27-13-8-6-12(7-9-13)22(25)26/h2-9H,10,19H2,1H3,(H,20,24)
InChIKeyOFLZTVKJSGVYDK-UHFFFAOYSA-N
XLogP2.18
TPSA129.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.18
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-[2-(4-nitrophenyl)acetyl]indole-3-carboxylic acid
CID 91690300
2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide
CID 99971684
2-methyl-1-[5-(3-nitrophenyl)furan-2-carbonyl]indole-3-carbohydrazide
CID 100817526
1-[2-(4-nitrophenoxy)acetyl]indole-3-carbaldehyde
CID 99971310
2-methyl-1-[2-(4-nitrophenyl)acetyl]indole-3-carbaldehyde
CID 91690377
4-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]-4-oxobutanehydrazide
CID 4739754
methyl 1-(2-chloro-4-nitrobenzoyl)-2-methylindole-3-carboxylate
CID 91690839
2-methyl-1-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 36561188
N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 52940822
1-(2-bromophenyl)-2-(4-nitrophenoxy)ethanone
CID 60625570
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide?
The IUPAC name of 2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide (CID 99971144) is 2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide.
What is the SMILES notation for 2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide?
The canonical SMILES for 2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide is Cc1c(C(=O)NN)c2ccccc2n1C(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide?
The InChIKey is OFLZTVKJSGVYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-11-17(18(24)20-19)14-4-2-3-5-15(14)21(11)16(23)10-27-13-8-6-12(7-9-13)22(25)26/h2-9H,10,19H2,1H3,(H,20,24).
What are the key properties of 2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide?
2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide has a molecular weight of 368.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-nitrophenoxy)acetyl]indole-3-carbohydrazide is sourced from PubChem (CID 99971144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).