N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide

C14H14FN3O3 — CID 170189482

IUPACN-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide
SMILESCOc1cc(N(C(C)=O)c2cc(NO)ccn2)ccc1F
InChIInChI=1S/C14H14FN3O3/c1-9(19)18(14-7-10(17-20)5-6-16-14)11-3-4-12(15)13(8-11)21-2/h3-8,20H,1-2H3,(H,16,17)
InChIKeyDLOVXTJMCXWBST-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.71
Rot. Bonds4

About N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide

N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide (PubChem CID 170189482) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide
PubChem CID170189482
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide
SMILESCOc1cc(N(C(C)=O)c2cc(NO)ccn2)ccc1F
InChIInChI=1S/C14H14FN3O3/c1-9(19)18(14-7-10(17-20)5-6-16-14)11-3-4-12(15)13(8-11)21-2/h3-8,20H,1-2H3,(H,16,17)
InChIKeyDLOVXTJMCXWBST-UHFFFAOYSA-N
XLogP2.71
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide (CID 170189482) is N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide is COc1cc(N(C(C)=O)c2cc(NO)ccn2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide?
The InChIKey is DLOVXTJMCXWBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-9(19)18(14-7-10(17-20)5-6-16-14)11-3-4-12(15)13(8-11)21-2/h3-8,20H,1-2H3,(H,16,17).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide?
N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide has a molecular weight of 291.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 170189482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).