(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide

C11H11F4N3O2 — CID 107645731

IUPAC(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide
SMILESCC(C)(C(=O)Nc1c(F)c(F)cc(F)c1F)/C(N)=N/O
InChIInChI=1S/C11H11F4N3O2/c1-11(2,9(16)18-20)10(19)17-8-6(14)4(12)3-5(13)7(8)15/h3,20H,1-2H3,(H2,16,18)(H,17,19)
InChIKeyNAWYSVDOECUPKH-UHFFFAOYSA-N
MW293.22 g/mol
LogP1.95
Rot. Bonds3

About (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide

(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide (PubChem CID 107645731) has the molecular formula C11H11F4N3O2 and a molecular weight of 293.22 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide
PubChem CID107645731
Molecular FormulaC11H11F4N3O2
Molecular Weight293.22 g/mol
Exact Mass293.08
IUPAC Name(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide
SMILESCC(C)(C(=O)Nc1c(F)c(F)cc(F)c1F)/C(N)=N/O
InChIInChI=1S/C11H11F4N3O2/c1-11(2,9(16)18-20)10(19)17-8-6(14)4(12)3-5(13)7(8)15/h3,20H,1-2H3,(H2,16,18)(H,17,19)
InChIKeyNAWYSVDOECUPKH-UHFFFAOYSA-N
XLogP1.95
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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'}

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Related Compounds

3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 83087993
3-amino-N-(5-chloro-2-fluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919373
3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 77069753
3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919712
3-amino-N-[(3,4-difluorophenyl)methyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 76921734
3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920661
3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919314
3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide
CID 107811795
(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 107641656
(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 82767181
2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine
CID 107645980
3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920623

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide (CID 107645731) is (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide is CC(C)(C(=O)Nc1c(F)c(F)cc(F)c1F)/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The InChIKey is NAWYSVDOECUPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N3O2/c1-11(2,9(16)18-20)10(19)17-8-6(14)4(12)3-5(13)7(8)15/h3,20H,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide has a molecular weight of 293.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide is sourced from PubChem (CID 107645731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).