(NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine

C25H27Cl2FN2O3Si — CID 87541556

IUPAC(NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine
SMILESCCCc1nccc(Oc2ccc(Cl)cc2)c1/C(=N\O)c1cc(OC)c(Cl)c([Si](C)(C)C)c1F
InChIInChI=1S/C25H27Cl2FN2O3Si/c1-6-7-18-21(19(12-13-29-18)33-16-10-8-15(26)9-11-16)24(30-31)17-14-20(32-2)22(27)25(23(17)28)34(3,4)5/h8-14,31H,6-7H2,1-5H3/b30-24-
InChIKeyRNHWYANSSAKAHE-KRUMMXJUSA-N
MW521.49 g/mol
LogP7.05
Rot. Bonds8

About (NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine

(NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 87541556) has the molecular formula C25H27Cl2FN2O3Si and a molecular weight of 521.49 g/mol. Its IUPAC name is (NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine
PubChem CID87541556
Molecular FormulaC25H27Cl2FN2O3Si
Molecular Weight521.49 g/mol
Exact Mass520.12
IUPAC Name(NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine
SMILESCCCc1nccc(Oc2ccc(Cl)cc2)c1/C(=N\O)c1cc(OC)c(Cl)c([Si](C)(C)C)c1F
InChIInChI=1S/C25H27Cl2FN2O3Si/c1-6-7-18-21(19(12-13-29-18)33-16-10-8-15(26)9-11-16)24(30-31)17-14-20(32-2)22(27)25(23(17)28)34(3,4)5/h8-14,31H,6-7H2,1-5H3/b30-24-
InChIKeyRNHWYANSSAKAHE-KRUMMXJUSA-N
XLogP7.05
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.49
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 (NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine (CID 87541556) is (NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine is CCCc1nccc(Oc2ccc(Cl)cc2)c1/C(=N\O)c1cc(OC)c(Cl)c([Si](C)(C)C)c1F.
What is the InChIKey of (NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is RNHWYANSSAKAHE-KRUMMXJUSA-N. The full InChI is InChI=1S/C25H27Cl2FN2O3Si/c1-6-7-18-21(19(12-13-29-18)33-16-10-8-15(26)9-11-16)24(30-31)17-14-20(32-2)22(27)25(23(17)28)34(3,4)5/h8-14,31H,6-7H2,1-5H3/b30-24-.
What are the key properties of (NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine?
(NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 521.49 g/mol, XLogP of 7.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-chloro-2-fluoro-5-methoxy-3-trimethylsilylphenyl)-[4-(4-chlorophenoxy)-2-propyl-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 87541556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).