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

C10H12ClN3O2 — CID 16762442

IUPAC(3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide
SMILESCc1ccc(Cl)cc1NC(=O)C/C(N)=N/O
InChIInChI=1S/C10H12ClN3O2/c1-6-2-3-7(11)4-8(6)13-10(15)5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyUPDYQGCBAWIVOK-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.72
Rot. Bonds3

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

(3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide (PubChem CID 16762442) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is (3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide
PubChem CID16762442
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name(3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide
SMILESCc1ccc(Cl)cc1NC(=O)C/C(N)=N/O
InChIInChI=1S/C10H12ClN3O2/c1-6-2-3-7(11)4-8(6)13-10(15)5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyUPDYQGCBAWIVOK-UHFFFAOYSA-N
XLogP1.72
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide (CID 16762442) is (3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide is Cc1ccc(Cl)cc1NC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide?
The InChIKey is UPDYQGCBAWIVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-6-2-3-7(11)4-8(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-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide has a molecular weight of 241.68 g/mol, XLogP of 1.72, 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-(5-chloro-2-methylphenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 16762442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).