3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide

C10H12FN3O2 — CID 76949808

IUPAC3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide
SMILESCc1cc(NC(=O)CC(N)=NO)ccc1F
InChIInChI=1S/C10H12FN3O2/c1-6-4-7(2-3-8(6)11)13-10(15)5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeySDKZJAKXXAWSET-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.21
Rot. Bonds3

About 3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide

3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide (PubChem CID 76949808) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide
PubChem CID76949808
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide
SMILESCc1cc(NC(=O)CC(N)=NO)ccc1F
InChIInChI=1S/C10H12FN3O2/c1-6-4-7(2-3-8(6)11)13-10(15)5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeySDKZJAKXXAWSET-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

(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide
CID 114840498
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
N-(4-fluoro-3-methylphenyl)-3-methylbutanamide
CID 110776354
N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028667
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 62813947
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
3-amino-N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115180231
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
CID 43156060

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide?
The IUPAC name of 3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide (CID 76949808) is 3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for 3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide is Cc1cc(NC(=O)CC(N)=NO)ccc1F.
What is the InChIKey of 3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide?
The InChIKey is SDKZJAKXXAWSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-6-4-7(2-3-8(6)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 3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide?
3-amino-N-(4-fluoro-3-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 3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 76949808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).