(4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide

C18H19FN2O3 — CID 18835072

IUPAC(4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C18H19FN2O3/c1-10-15-13(21-23)8-18(2,3)9-14(15)24-16(10)17(22)20-12-7-5-4-6-11(12)19/h4-7,23H,8-9H2,1-3H3,(H,20,22)/b21-13-
InChIKeyQTYFJQMGHVWKHG-BKUYFWCQSA-N
MW330.36 g/mol
LogP4.13
Rot. Bonds2

About (4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide

(4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide (PubChem CID 18835072) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
PubChem CID18835072
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C18H19FN2O3/c1-10-15-13(21-23)8-18(2,3)9-14(15)24-16(10)17(22)20-12-7-5-4-6-11(12)19/h4-7,23H,8-9H2,1-3H3,(H,20,22)/b21-13-
InChIKeyQTYFJQMGHVWKHG-BKUYFWCQSA-N
XLogP4.13
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.13
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 (4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide (CID 18835072) is (4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N\O)CC(C)(C)C2.
What is the InChIKey of (4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is QTYFJQMGHVWKHG-BKUYFWCQSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-10-15-13(21-23)8-18(2,3)9-14(15)24-16(10)17(22)20-12-7-5-4-6-11(12)19/h4-7,23H,8-9H2,1-3H3,(H,20,22)/b21-13-.
What are the key properties of (4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
(4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18835072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).