(2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide

C17H14ClN3O2 — CID 171355638

IUPAC(2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(/C(=N\O)C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H14ClN3O2/c1-21-10-14(13-4-2-3-5-15(13)21)16(20-23)17(22)19-12-8-6-11(18)7-9-12/h2-10,23H,1H3,(H,19,22)/b20-16+
InChIKeyBATWACQYRCZBLP-CAPFRKAQSA-N
MW327.77 g/mol
LogP3.65
Rot. Bonds3

About (2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide

(2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide (PubChem CID 171355638) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is (2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound Name(2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide
PubChem CID171355638
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name(2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(/C(=N\O)C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H14ClN3O2/c1-21-10-14(13-4-2-3-5-15(13)21)16(20-23)17(22)19-12-8-6-11(18)7-9-12/h2-10,23H,1H3,(H,19,22)/b20-16+
InChIKeyBATWACQYRCZBLP-CAPFRKAQSA-N
XLogP3.65
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of (2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide (CID 171355638) is (2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for (2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for (2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide is Cn1cc(/C(=N\O)C(=O)Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide?
The InChIKey is BATWACQYRCZBLP-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-21-10-14(13-4-2-3-5-15(13)21)16(20-23)17(22)19-12-8-6-11(18)7-9-12/h2-10,23H,1H3,(H,19,22)/b20-16+.
What are the key properties of (2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide?
(2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide has a molecular weight of 327.77 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(4-chlorophenyl)-2-hydroxyimino-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 171355638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).