4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide

C13H19F2N3O3 — CID 107493128

IUPAC4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCN(CCO)CC(F)F)cc1
InChIInChI=1S/C13H19F2N3O3/c14-12(15)9-18(5-7-19)6-8-21-11-3-1-10(2-4-11)13(20)17-16/h1-4,12,19H,5-9,16H2,(H,17,20)
InChIKeyIOHUMULPJXJEFA-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.23
Rot. Bonds9

About 4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide

4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide (PubChem CID 107493128) has the molecular formula C13H19F2N3O3 and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
PubChem CID107493128
Molecular FormulaC13H19F2N3O3
Molecular Weight303.31 g/mol
Exact Mass303.14
IUPAC Name4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCN(CCO)CC(F)F)cc1
InChIInChI=1S/C13H19F2N3O3/c14-12(15)9-18(5-7-19)6-8-21-11-3-1-10(2-4-11)13(20)17-16/h1-4,12,19H,5-9,16H2,(H,17,20)
InChIKeyIOHUMULPJXJEFA-UHFFFAOYSA-N
XLogP0.23
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-Ethoxybenzhydrazide
CID 143561
N'-butyl-4-methoxybenzohydrazide
CID 71306436
4-(Benzyloxy)benzohydrazide
CID 1526486
Ro 8-4304
CID 9799515
N'-butyl-4-(trifluoromethoxy)benzohydrazide
CID 71306434
4-phenylmethoxy-N'-propylbenzohydrazide
CID 155511274
N-(2-morpholinoethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide
CID 3484704
ST50913919
CID 3534385
4-Butoxy-N-4-morpholinylbenzamide
CID 4363896
4-methoxy-N-(morpholin-4-yl)benzamide
CID 4591113
4-(Trifluoromethoxy)benzoic acid hydrazide
CID 2777230
4-butoxy-N-(4-methyl-1-piperazinyl)benzamide
CID 4459944

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide?
The IUPAC name of 4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide (CID 107493128) is 4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide is NNC(=O)c1ccc(OCCN(CCO)CC(F)F)cc1.
What is the InChIKey of 4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide?
The InChIKey is IOHUMULPJXJEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O3/c14-12(15)9-18(5-7-19)6-8-21-11-3-1-10(2-4-11)13(20)17-16/h1-4,12,19H,5-9,16H2,(H,17,20).
What are the key properties of 4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide?
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide has a molecular weight of 303.31 g/mol, XLogP of 0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 107493128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).