(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide

C10H12FN3O3 — CID 114840498

IUPAC(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide
SMILESCOc1cc(NC(=O)C/C(N)=N/O)ccc1F
InChIInChI=1S/C10H12FN3O3/c1-17-8-4-6(2-3-7(8)11)13-10(15)5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyWIQWCWLLHWBFKC-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.91
Rot. Bonds4

About (3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide (PubChem CID 114840498) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is (3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide
PubChem CID114840498
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide
SMILESCOc1cc(NC(=O)C/C(N)=N/O)ccc1F
InChIInChI=1S/C10H12FN3O3/c1-17-8-4-6(2-3-7(8)11)13-10(15)5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyWIQWCWLLHWBFKC-UHFFFAOYSA-N
XLogP0.91
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.91
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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Related Compounds

3-amino-N-(4-fluoro-3-methoxyphenyl)-3-sulfanylidenepropanamide
CID 114839886
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
2-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)acetamide
CID 114839640
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide
CID 114839771
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide
CID 42588010
N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide
CID 114839602
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
2-(4-fluoro-3-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 114839513

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide (CID 114840498) is (3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide is COc1cc(NC(=O)C/C(N)=N/O)ccc1F.
What is the InChIKey of (3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide?
The InChIKey is WIQWCWLLHWBFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-17-8-4-6(2-3-7(8)11)13-10(15)5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of (3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide has a molecular weight of 241.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 114840498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).