N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide

C17H12Cl2FN3O2 — CID 26815716

IUPACN'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2cc(F)c(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C17H12Cl2FN3O2/c1-23-8-11(9-4-2-3-5-15(9)23)17(25)22-21-16(24)10-6-14(20)13(19)7-12(10)18/h2-8H,1H3,(H,21,24)(H,22,25)
InChIKeyZVYBFOCYPXXSJA-UHFFFAOYSA-N
MW380.21 g/mol
LogP3.70
Rot. Bonds2

About N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide

N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide (PubChem CID 26815716) has the molecular formula C17H12Cl2FN3O2 and a molecular weight of 380.21 g/mol. Its IUPAC name is N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
PubChem CID26815716
Molecular FormulaC17H12Cl2FN3O2
Molecular Weight380.21 g/mol
Exact Mass379.03
IUPAC NameN'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2cc(F)c(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C17H12Cl2FN3O2/c1-23-8-11(9-4-2-3-5-15(9)23)17(25)22-21-16(24)10-6-14(20)13(19)7-12(10)18/h2-8H,1H3,(H,21,24)(H,22,25)
InChIKeyZVYBFOCYPXXSJA-UHFFFAOYSA-N
XLogP3.70
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
N'-(2-bromobenzoyl)-2,4-dichloro-5-fluorobenzohydrazide
CID 46652348
1-(4-bromo-2-chlorophenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 2208401
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
N-tert-butyl-2-chloro-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 31737799
N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide
CID 40717335
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
1-(3,5-dimethylphenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 8001040
1-methyl-N-phenylindole-3-carboxamide
CID 9038340

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide (CID 26815716) is N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)c2cc(F)c(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide?
The InChIKey is ZVYBFOCYPXXSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O2/c1-23-8-11(9-4-2-3-5-15(9)23)17(25)22-21-16(24)10-6-14(20)13(19)7-12(10)18/h2-8H,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide?
N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide has a molecular weight of 380.21 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 26815716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).