N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide

C14H20FN3O3 — CID 115299504

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC/C(N)=N/O)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H20FN3O3/c1-9(2)8-18(6-5-13(16)17-21)14(20)11-7-10(15)3-4-12(11)19/h3-4,7,9,19,21H,5-6,8H2,1-2H3,(H2,16,17)
InChIKeyQHUUAAGHVZWQQD-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.77
Rot. Bonds6

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide (PubChem CID 115299504) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide
PubChem CID115299504
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC/C(N)=N/O)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H20FN3O3/c1-9(2)8-18(6-5-13(16)17-21)14(20)11-7-10(15)3-4-12(11)19/h3-4,7,9,19,21H,5-6,8H2,1-2H3,(H2,16,17)
InChIKeyQHUUAAGHVZWQQD-UHFFFAOYSA-N
XLogP1.77
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.77
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide (CID 115299504) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide is CC(C)CN(CC/C(N)=N/O)C(=O)c1cc(F)ccc1O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide?
The InChIKey is QHUUAAGHVZWQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-9(2)8-18(6-5-13(16)17-21)14(20)11-7-10(15)3-4-12(11)19/h3-4,7,9,19,21H,5-6,8H2,1-2H3,(H2,16,17).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide has a molecular weight of 297.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 115299504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).