(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide

C10H12FN3O2 — CID 43156189

IUPAC(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
SMILESCc1ccc(F)c(NC(=O)C/C(N)=N/O)c1
InChIInChI=1S/C10H12FN3O2/c1-6-2-3-7(11)8(4-6)13-10(15)5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyFYCISLARMZCLPM-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.21
Rot. Bonds3

About (3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide (PubChem CID 43156189) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is (3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
PubChem CID43156189
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
SMILESCc1ccc(F)c(NC(=O)C/C(N)=N/O)c1
InChIInChI=1S/C10H12FN3O2/c1-6-2-3-7(11)8(4-6)13-10(15)5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyFYCISLARMZCLPM-UHFFFAOYSA-N
XLogP1.21
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-fluorophenyl)-3-hydroxyiminopropanamide
CID 53397139
3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 76949808
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide
CID 77029578
N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 17449540
2-(2-aminoethoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 79464256
N-(2-fluoro-5-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838557
N-(2-fluoro-5-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80596832
(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide
CID 114840498
chloromethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 164652670
N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36805569
(3E)-3-amino-N-(2-chloro-5-fluorophenyl)-3-hydroxyiminopropanamide
CID 107530741

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide (CID 43156189) is (3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide is Cc1ccc(F)c(NC(=O)C/C(N)=N/O)c1.
What is the InChIKey of (3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide?
The InChIKey is FYCISLARMZCLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-6-2-3-7(11)8(4-6)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-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide has a molecular weight of 225.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 43156189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).