(NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine

C24H40ClNO — CID 6508045

IUPAC(NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine
SMILESCCCCCCCCCCCCCCCCC/C(=N/O)c1ccc(Cl)cc1
InChIInChI=1S/C24H40ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26-27)22-18-20-23(25)21-19-22/h18-21,27H,2-17H2,1H3/b26-24-
InChIKeyCBFANXZBYHRDSV-LCUIJRPUSA-N
MW394.04 g/mol
LogP8.78
Rot. Bonds17

About (NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine

(NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine (PubChem CID 6508045) has the molecular formula C24H40ClNO and a molecular weight of 394.04 g/mol. Its IUPAC name is (NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine
PubChem CID6508045
Molecular FormulaC24H40ClNO
Molecular Weight394.04 g/mol
Exact Mass393.28
IUPAC Name(NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine
SMILESCCCCCCCCCCCCCCCCC/C(=N/O)c1ccc(Cl)cc1
InChIInChI=1S/C24H40ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26-27)22-18-20-23(25)21-19-22/h18-21,27H,2-17H2,1H3/b26-24-
InChIKeyCBFANXZBYHRDSV-LCUIJRPUSA-N
XLogP8.78
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.04
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine (CID 6508045) is (NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine is CCCCCCCCCCCCCCCCC/C(=N/O)c1ccc(Cl)cc1.
What is the InChIKey of (NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine?
The InChIKey is CBFANXZBYHRDSV-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H40ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26-27)22-18-20-23(25)21-19-22/h18-21,27H,2-17H2,1H3/b26-24-.
What are the key properties of (NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine?
(NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine has a molecular weight of 394.04 g/mol, XLogP of 8.78, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-chlorophenyl)octadecylidene]hydroxylamine is sourced from PubChem (CID 6508045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).