5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide

C14H16FN3O2 — CID 63584129

IUPAC5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)o1)c1cccc(F)c1
InChIInChI=1S/C14H16FN3O2/c1-2-18(11-5-3-4-10(15)8-11)9-12-6-7-13(20-12)14(19)17-16/h3-8H,2,9,16H2,1H3,(H,17,19)
InChIKeyKNISPRFXAVZSGL-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.05
Rot. Bonds5

About 5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide

5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide (PubChem CID 63584129) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
PubChem CID63584129
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)o1)c1cccc(F)c1
InChIInChI=1S/C14H16FN3O2/c1-2-18(11-5-3-4-10(15)8-11)9-12-6-7-13(20-12)14(19)17-16/h3-8H,2,9,16H2,1H3,(H,17,19)
InChIKeyKNISPRFXAVZSGL-UHFFFAOYSA-N
XLogP2.05
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63583297
5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide
CID 63585831
5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63584169
5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide
CID 63584494
N-ethyl-3-fluoro-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62428658
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
CID 78807510
5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63585765
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide
CID 42750705

Frequently Asked Questions

What is the IUPAC name of 5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide (CID 63584129) is 5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide is CCN(Cc1ccc(C(=O)NN)o1)c1cccc(F)c1.
What is the InChIKey of 5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide?
The InChIKey is KNISPRFXAVZSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-2-18(11-5-3-4-10(15)8-11)9-12-6-7-13(20-12)14(19)17-16/h3-8H,2,9,16H2,1H3,(H,17,19).
What are the key properties of 5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide?
5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide has a molecular weight of 277.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63584129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).