5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide

C17H19F2N3O3 — CID 47797834

IUPAC5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccc(F)c(F)c2)o1
InChIInChI=1S/C17H19F2N3O3/c1-3-22(4-2)10-12-6-8-15(25-12)17(24)21-20-16(23)11-5-7-13(18)14(19)9-11/h5-9H,3-4,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHFAJEYJLEIKHKL-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.47
Rot. Bonds6

About 5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide

5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide (PubChem CID 47797834) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide
PubChem CID47797834
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC Name5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccc(F)c(F)c2)o1
InChIInChI=1S/C17H19F2N3O3/c1-3-22(4-2)10-12-6-8-15(25-12)17(24)21-20-16(23)11-5-7-13(18)14(19)9-11/h5-9H,3-4,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHFAJEYJLEIKHKL-UHFFFAOYSA-N
XLogP2.47
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide?
The IUPAC name of 5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide (CID 47797834) is 5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide is CCN(CC)Cc1ccc(C(=O)NNC(=O)c2ccc(F)c(F)c2)o1.
What is the InChIKey of 5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide?
The InChIKey is HFAJEYJLEIKHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c1-3-22(4-2)10-12-6-8-15(25-12)17(24)21-20-16(23)11-5-7-13(18)14(19)9-11/h5-9H,3-4,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide?
5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide has a molecular weight of 351.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-N'-(3,4-difluorobenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 47797834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).