N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide

C11H14F2N4O4 — CID 107486313

IUPACN-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
SMILESNNc1c(C(=O)N(CCO)CC(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14F2N4O4/c12-9(13)6-16(4-5-18)11(19)7-2-1-3-8(17(20)21)10(7)15-14/h1-3,9,15,18H,4-6,14H2
InChIKeyBKQSBQKIJAGKCW-UHFFFAOYSA-N
MW304.25 g/mol
LogP0.58
Rot. Bonds7

About N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide

N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide (PubChem CID 107486313) has the molecular formula C11H14F2N4O4 and a molecular weight of 304.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
PubChem CID107486313
Molecular FormulaC11H14F2N4O4
Molecular Weight304.25 g/mol
Exact Mass304.10
IUPAC NameN-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
SMILESNNc1c(C(=O)N(CCO)CC(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14F2N4O4/c12-9(13)6-16(4-5-18)11(19)7-2-1-3-8(17(20)21)10(7)15-14/h1-3,9,15,18H,4-6,14H2
InChIKeyBKQSBQKIJAGKCW-UHFFFAOYSA-N
XLogP0.58
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107485996
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486304
2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol
CID 107486352
2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide
CID 112551984
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 115937177
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 107486037
N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107479182
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 112580647
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
CID 115936998
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 107481586

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide (CID 107486313) is N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide is NNc1c(C(=O)N(CCO)CC(F)F)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
The InChIKey is BKQSBQKIJAGKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O4/c12-9(13)6-16(4-5-18)11(19)7-2-1-3-8(17(20)21)10(7)15-14/h1-3,9,15,18H,4-6,14H2.
What are the key properties of N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide has a molecular weight of 304.25 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide is sourced from PubChem (CID 107486313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).