N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide

C11H14FN3O3 — CID 107677312

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide
SMILESCC(CNC(=O)c1ccc(O)cc1F)/C(N)=N/O
InChIInChI=1S/C11H14FN3O3/c1-6(10(13)15-18)5-14-11(17)8-3-2-7(16)4-9(8)12/h2-4,6,16,18H,5H2,1H3,(H2,13,15)(H,14,17)
InChIKeyRBOATEVPRYNUJH-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.64
Rot. Bonds4

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 107677312) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide
PubChem CID107677312
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide
SMILESCC(CNC(=O)c1ccc(O)cc1F)/C(N)=N/O
InChIInChI=1S/C11H14FN3O3/c1-6(10(13)15-18)5-14-11(17)8-3-2-7(16)4-9(8)12/h2-4,6,16,18H,5H2,1H3,(H2,13,15)(H,14,17)
InChIKeyRBOATEVPRYNUJH-UHFFFAOYSA-N
XLogP0.64
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide
CID 82772683
N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide
CID 107677629
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,5-dihydroxybenzamide
CID 107705617
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide
CID 76952616
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methylsulfanylbenzamide
CID 79205826
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-6-fluorobenzamide
CID 114560779
N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677727
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 104929813
N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802153
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide
CID 104615583

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide (CID 107677312) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide is CC(CNC(=O)c1ccc(O)cc1F)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is RBOATEVPRYNUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-6(10(13)15-18)5-14-11(17)8-3-2-7(16)4-9(8)12/h2-4,6,16,18H,5H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 255.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).