N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide

C15H9ClF2N2O4 — CID 8890859

IUPACN'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H9ClF2N2O4/c16-9-5-11(18)10(17)4-8(9)15(22)20-19-14(21)7-1-2-12-13(3-7)24-6-23-12/h1-5H,6H2,(H,19,21)(H,20,22)
InChIKeyYLLSIBNAXQYVBM-UHFFFAOYSA-N
MW354.70 g/mol
LogP2.42
Rot. Bonds2

About N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide

N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide (PubChem CID 8890859) has the molecular formula C15H9ClF2N2O4 and a molecular weight of 354.70 g/mol. Its IUPAC name is N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
PubChem CID8890859
Molecular FormulaC15H9ClF2N2O4
Molecular Weight354.70 g/mol
Exact Mass354.02
IUPAC NameN'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H9ClF2N2O4/c16-9-5-11(18)10(17)4-8(9)15(22)20-19-14(21)7-1-2-12-13(3-7)24-6-23-12/h1-5H,6H2,(H,19,21)(H,20,22)
InChIKeyYLLSIBNAXQYVBM-UHFFFAOYSA-N
XLogP2.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.70
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-(4-chloro-2-iodobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 39714374
N'-(4-bromo-2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275432
N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-fluorobenzamide
CID 9191596
7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 9427736
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
N'-(3,5-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275269
N'-(3-fluoro-4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275429
N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 31727289
N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
CID 8523745
N-[5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-chlorophenyl]methanesulfonamide
CID 49014753
N'-(4-bromobenzoyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 1283505

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide (CID 8890859) is N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide is O=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is YLLSIBNAXQYVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O4/c16-9-5-11(18)10(17)4-8(9)15(22)20-19-14(21)7-1-2-12-13(3-7)24-6-23-12/h1-5H,6H2,(H,19,21)(H,20,22).
What are the key properties of N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide?
N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 354.70 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 8890859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).