(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide

C10H11Cl2N3O2 — CID 43156022

IUPAC(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
SMILESCc1ccc(Cl)c(NC(=O)C/C(N)=N/O)c1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-5-2-3-6(11)10(9(5)12)14-8(16)4-7(13)15-17/h2-3,17H,4H2,1H3,(H2,13,15)(H,14,16)
InChIKeySWGULMRUIWINRH-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.38
Rot. Bonds3

About (3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide (PubChem CID 43156022) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is (3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
PubChem CID43156022
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
SMILESCc1ccc(Cl)c(NC(=O)C/C(N)=N/O)c1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-5-2-3-6(11)10(9(5)12)14-8(16)4-7(13)15-17/h2-3,17H,4H2,1H3,(H2,13,15)(H,14,16)
InChIKeySWGULMRUIWINRH-UHFFFAOYSA-N
XLogP2.38
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.38
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-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919299
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947
2-azido-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 61373651
2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 60646972
2-(1-aminocyclohexyl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 64683924
N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924711
6-(2,6-dichloro-3-methylanilino)-6-oxohexanoic acid
CID 43529433
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
(3Z)-3-amino-N-(2,5-dichloro-4-methylphenyl)-3-hydroxyiminopropanamide
CID 104727903
(3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide
CID 43155915
5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide
CID 107907179

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide (CID 43156022) is (3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide is Cc1ccc(Cl)c(NC(=O)C/C(N)=N/O)c1Cl.
What is the InChIKey of (3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide?
The InChIKey is SWGULMRUIWINRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c1-5-2-3-6(11)10(9(5)12)14-8(16)4-7(13)15-17/h2-3,17H,4H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of (3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide has a molecular weight of 276.12 g/mol, XLogP of 2.38, 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-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 43156022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).