(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide

C12H13F4N3O2 — CID 106295261

IUPAC(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESN/C(=N/O)C(C(=O)NCC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C12H13F4N3O2/c13-11(14)12(15,16)6-18-10(20)8(9(17)19-21)7-4-2-1-3-5-7/h1-5,8,11,21H,6H2,(H2,17,19)(H,18,20)
InChIKeyLMGDXVKYTDSQBM-UHFFFAOYSA-N
MW307.25 g/mol
LogP1.53
Rot. Bonds6

About (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide

(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide (PubChem CID 106295261) has the molecular formula C12H13F4N3O2 and a molecular weight of 307.25 g/mol. Its IUPAC name is (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide.

Molecular Properties

Compound Name(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
PubChem CID106295261
Molecular FormulaC12H13F4N3O2
Molecular Weight307.25 g/mol
Exact Mass307.09
IUPAC Name(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESN/C(=N/O)C(C(=O)NCC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C12H13F4N3O2/c13-11(14)12(15,16)6-18-10(20)8(9(17)19-21)7-4-2-1-3-5-7/h1-5,8,11,21H,6H2,(H2,17,19)(H,18,20)
InChIKeyLMGDXVKYTDSQBM-UHFFFAOYSA-N
XLogP1.53
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921
3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 76975364
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
CID 106330934
(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
CID 55128874
3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 76975321
2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291040
N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide
CID 106293122
(2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid
CID 106295096
3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide
CID 76975426
3-amino-3-hydroxyimino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 76993736
3-amino-N-(2,2-dimethylpropyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877060

Frequently Asked Questions

What is the IUPAC name of (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The IUPAC name of (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide (CID 106295261) is (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide.
What is the SMILES notation for (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The canonical SMILES for (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide is N/C(=N/O)C(C(=O)NCC(F)(F)C(F)F)c1ccccc1.
What is the InChIKey of (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The InChIKey is LMGDXVKYTDSQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N3O2/c13-11(14)12(15,16)6-18-10(20)8(9(17)19-21)7-4-2-1-3-5-7/h1-5,8,11,21H,6H2,(H2,17,19)(H,18,20).
What are the key properties of (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide has a molecular weight of 307.25 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide is sourced from PubChem (CID 106295261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).