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

C19H21ClN2O3 — CID 18835188

IUPAC(4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)c2ccccc2Cl)oc2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C19H21ClN2O3/c1-11-16-13(21-24)9-19(2,3)10-15(16)25-17(11)18(23)22(4)14-8-6-5-7-12(14)20/h5-8,24H,9-10H2,1-4H3/b21-13-
InChIKeyNBXUDSJPXOIDBB-BKUYFWCQSA-N
MW360.84 g/mol
LogP4.67
Rot. Bonds2

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

(4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide (PubChem CID 18835188) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide
PubChem CID18835188
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)c2ccccc2Cl)oc2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C19H21ClN2O3/c1-11-16-13(21-24)9-19(2,3)10-15(16)25-17(11)18(23)22(4)14-8-6-5-7-12(14)20/h5-8,24H,9-10H2,1-4H3/b21-13-
InChIKeyNBXUDSJPXOIDBB-BKUYFWCQSA-N
XLogP4.67
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.67
H-Bond Donors ≤ 51
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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Related Compounds

5-(4-chlorophenyl)-N-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 24776777
4-hydroxyimino-3,6,6-trimethyl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-1-benzofuran-2-carboxamide
CID 4870728
[4-(2-Fluorophenyl)piperazin-1-yl]-(4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl)methanone
CID 4976086
(4E)-4-hydroxyimino-3,6,6-trimethyl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-1-benzofuran-2-carboxamide
CID 6222119
[4-(2-fluorophenyl)piperazin-1-yl]-[(4E)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone
CID 6237844
N-[2-(2-chloroanilino)-2-oxoethyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
CID 9090052
(4Z)-4-(hydroxyimino)-3,6,6-trimethyl-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 9685085
[4-(2-fluorophenyl)piperazin-1-yl][(4Z)-4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methanone
CID 9687117
(4Z)-N-(2-fluorophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835072
(4Z)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835085
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone
CID 18835088
(4Z)-4-hydroxyimino-3,6,6-trimethyl-N-[2-(trifluoromethyl)phenyl]-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835097

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide (CID 18835188) is (4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)c2ccccc2Cl)oc2c1/C(=N\O)CC(C)(C)C2.
What is the InChIKey of (4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is NBXUDSJPXOIDBB-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-11-16-13(21-24)9-19(2,3)10-15(16)25-17(11)18(23)22(4)14-8-6-5-7-12(14)20/h5-8,24H,9-10H2,1-4H3/b21-13-.
What are the key properties of (4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
(4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(2-chlorophenyl)-4-hydroxyimino-N,3,6,6-tetramethyl-5,7-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18835188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).