N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide

C17H12ClFN2O3 — CID 27163697

IUPACN'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(Cl)cc2F)oc2ccccc12
InChIInChI=1S/C17H12ClFN2O3/c1-9-11-4-2-3-5-14(11)24-15(9)17(23)21-20-16(22)12-7-6-10(18)8-13(12)19/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeyXDAJFXOUOGAESR-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.61
Rot. Bonds2

About N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide

N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 27163697) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID27163697
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC NameN'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(Cl)cc2F)oc2ccccc12
InChIInChI=1S/C17H12ClFN2O3/c1-9-11-4-2-3-5-14(11)24-15(9)17(23)21-20-16(22)12-7-6-10(18)8-13(12)19/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeyXDAJFXOUOGAESR-UHFFFAOYSA-N
XLogP3.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685228
1-(4-chlorophenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 8746989
5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 24665378
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26813929
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide
CID 26377118
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26874015

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide (CID 27163697) is N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2F)oc2ccccc12.
What is the InChIKey of N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is XDAJFXOUOGAESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c1-9-11-4-2-3-5-14(11)24-15(9)17(23)21-20-16(22)12-7-6-10(18)8-13(12)19/h2-8H,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 346.75 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 27163697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).