N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

C19H13Cl2FN2O4 — CID 46656994

IUPACN'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C19H13Cl2FN2O4/c20-14-9-15(21)16(22)8-13(14)18(25)23-24-19(26)17-7-6-12(28-17)10-27-11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyLMIILIQRWOVCIW-UHFFFAOYSA-N
MW423.23 g/mol
LogP4.38
Rot. Bonds5

About N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 46656994) has the molecular formula C19H13Cl2FN2O4 and a molecular weight of 423.23 g/mol. Its IUPAC name is N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID46656994
Molecular FormulaC19H13Cl2FN2O4
Molecular Weight423.23 g/mol
Exact Mass422.02
IUPAC NameN'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C19H13Cl2FN2O4/c20-14-9-15(21)16(22)8-13(14)18(25)23-24-19(26)17-7-6-12(28-17)10-27-11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyLMIILIQRWOVCIW-UHFFFAOYSA-N
XLogP4.38
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.23
LogP ≤ 54.38
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'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31464668
2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]chromene-3-carbohydrazide
CID 4795712
2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide
CID 24553921
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31836951
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (CID 46656994) is N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is O=C(NNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is LMIILIQRWOVCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN2O4/c20-14-9-15(21)16(22)8-13(14)18(25)23-24-19(26)17-7-6-12(28-17)10-27-11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25)(H,24,26).
What are the key properties of N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 423.23 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 46656994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).