N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide

C14H12ClFN2O3 — CID 51166128

IUPACN'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(F)cc2Cl)c(C)o1
InChIInChI=1S/C14H12ClFN2O3/c1-7-5-11(8(2)21-7)14(20)18-17-13(19)10-4-3-9(16)6-12(10)15/h3-6H,1-2H3,(H,17,19)(H,18,20)
InChIKeySPEFITLUTFIXQE-UHFFFAOYSA-N
MW310.71 g/mol
LogP2.76
Rot. Bonds2

About N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide

N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 51166128) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
PubChem CID51166128
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC NameN'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(F)cc2Cl)c(C)o1
InChIInChI=1S/C14H12ClFN2O3/c1-7-5-11(8(2)21-7)14(20)18-17-13(19)10-4-3-9(16)6-12(10)15/h3-6H,1-2H3,(H,17,19)(H,18,20)
InChIKeySPEFITLUTFIXQE-UHFFFAOYSA-N
XLogP2.76
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.76
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'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606
1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
CID 51168686
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 31289347
5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024294
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 27569390
4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 26895477
N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468094
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide (CID 51166128) is N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(F)cc2Cl)c(C)o1.
What is the InChIKey of N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is SPEFITLUTFIXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c1-7-5-11(8(2)21-7)14(20)18-17-13(19)10-4-3-9(16)6-12(10)15/h3-6H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 310.71 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 51166128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).