N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide

C13H19F2N3O2 — CID 63186654

IUPACN-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCCCCOCCNC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C13H19F2N3O2/c1-2-3-5-20-6-4-17-13(19)9-7-10(14)12(18-16)11(15)8-9/h7-8,18H,2-6,16H2,1H3,(H,17,19)
InChIKeyBMSPLKWDYLZIDZ-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.80
Rot. Bonds8

About N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide

N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 63186654) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID63186654
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC NameN-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCCCCOCCNC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C13H19F2N3O2/c1-2-3-5-20-6-4-17-13(19)9-7-10(14)12(18-16)11(15)8-9/h7-8,18H,2-6,16H2,1H3,(H,17,19)
InChIKeyBMSPLKWDYLZIDZ-UHFFFAOYSA-N
XLogP1.80
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133
3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide
CID 82946466
N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186049
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
N-(3-butoxypropyl)-4-fluoro-3-sulfanylbenzamide
CID 107035417
3-(2-butoxyethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65396992
3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
CID 103826764
3-amino-N-(2-butoxyethyl)-4-methylbenzamide
CID 61169083
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340860
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide (CID 63186654) is N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide is CCCCOCCNC(=O)c1cc(F)c(NN)c(F)c1.
What is the InChIKey of N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is BMSPLKWDYLZIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-2-3-5-20-6-4-17-13(19)9-7-10(14)12(18-16)11(15)8-9/h7-8,18H,2-6,16H2,1H3,(H,17,19).
What are the key properties of N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide?
N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide has a molecular weight of 287.31 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 63186654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).