N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide

C11H14F2N4O2 — CID 63186049

IUPACN-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESNNc1c(F)cc(C(=O)NCCCC(N)=O)cc1F
InChIInChI=1S/C11H14F2N4O2/c12-7-4-6(5-8(13)10(7)17-15)11(19)16-3-1-2-9(14)18/h4-5,17H,1-3,15H2,(H2,14,18)(H,16,19)
InChIKeyNDESFFVCEKNRQS-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.25
Rot. Bonds6

About N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide

N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 63186049) has the molecular formula C11H14F2N4O2 and a molecular weight of 272.25 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID63186049
Molecular FormulaC11H14F2N4O2
Molecular Weight272.25 g/mol
Exact Mass272.11
IUPAC NameN-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESNNc1c(F)cc(C(=O)NCCCC(N)=O)cc1F
InChIInChI=1S/C11H14F2N4O2/c12-7-4-6(5-8(13)10(7)17-15)11(19)16-3-1-2-9(14)18/h4-5,17H,1-3,15H2,(H2,14,18)(H,16,19)
InChIKeyNDESFFVCEKNRQS-UHFFFAOYSA-N
XLogP0.25
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.25
H-Bond Donors ≤ 54
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-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide
CID 103896382
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
CID 62237082
N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186654
3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340860
3,5-difluoro-4-hydrazinyl-N-(2-pyridin-4-ylethyl)benzamide
CID 63186092
N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63185740
4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide
CID 155067191
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
N-(5-amino-5-hydroxyiminopentyl)-3,4,5-trifluorobenzamide
CID 77036928
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide (CID 63186049) is N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide is NNc1c(F)cc(C(=O)NCCCC(N)=O)cc1F.
What is the InChIKey of N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is NDESFFVCEKNRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O2/c12-7-4-6(5-8(13)10(7)17-15)11(19)16-3-1-2-9(14)18/h4-5,17H,1-3,15H2,(H2,14,18)(H,16,19).
What are the key properties of N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide?
N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide has a molecular weight of 272.25 g/mol, XLogP of 0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 63186049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).