1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide

C17H13ClN4O4 — CID 91690777

IUPAC1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1C(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C17H13ClN4O4/c1-9-15(16(23)20-19)11-4-2-3-5-14(11)21(9)17(24)12-8-10(22(25)26)6-7-13(12)18/h2-8H,19H2,1H3,(H,20,23)
InChIKeyHUHIMOZFCQJSQY-UHFFFAOYSA-N
MW372.77 g/mol
LogP2.80
Rot. Bonds3

About 1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide

1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide (PubChem CID 91690777) has the molecular formula C17H13ClN4O4 and a molecular weight of 372.77 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide
PubChem CID91690777
Molecular FormulaC17H13ClN4O4
Molecular Weight372.77 g/mol
Exact Mass372.06
IUPAC Name1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1C(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C17H13ClN4O4/c1-9-15(16(23)20-19)11-4-2-3-5-14(11)21(9)17(24)12-8-10(22(25)26)6-7-13(12)18/h2-8H,19H2,1H3,(H,20,23)
InChIKeyHUHIMOZFCQJSQY-UHFFFAOYSA-N
XLogP2.80
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

methyl 1-(2-chloro-4-nitrobenzoyl)-2-methylindole-3-carboxylate
CID 91690839
1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690357
(4-bromo-3,5-dimethylpyrazol-1-yl)-(2-chloro-5-nitrophenyl)methanone
CID 603525
1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690481
2-methyl-1-[5-(2-methyl-5-nitrophenyl)furan-2-carbonyl]indole-3-carboxylic acid
CID 100817553
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
N-[1-(2-chloro-5-nitrobenzoyl)piperidin-4-yl]-2-methylbenzamide
CID 55688878
N-(2-chloro-4-nitrophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501483
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 63194127
methyl 2-methyl-1-(4-methyl-3-nitrobenzoyl)indole-3-carboxylate
CID 91690783
[2-(benzylamino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2631389
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide?
The IUPAC name of 1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide (CID 91690777) is 1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide.
What is the SMILES notation for 1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide?
The canonical SMILES for 1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide is Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide?
The InChIKey is HUHIMOZFCQJSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O4/c1-9-15(16(23)20-19)11-4-2-3-5-14(11)21(9)17(24)12-8-10(22(25)26)6-7-13(12)18/h2-8H,19H2,1H3,(H,20,23).
What are the key properties of 1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide?
1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide has a molecular weight of 372.77 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrobenzoyl)-2-methylindole-3-carbohydrazide is sourced from PubChem (CID 91690777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).