(NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine

C17H19ClFNO — CID 11638112

IUPAC(NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine
SMILESO/N=C1\CCC(C2CCCCC2)=C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFNO/c18-14-10-12(6-8-15(14)19)17-13(7-9-16(17)20-21)11-4-2-1-3-5-11/h6,8,10-11,21H,1-5,7,9H2/b20-16+
InChIKeyMIQAYLDHNPZRJX-CAPFRKAQSA-N
MW307.80 g/mol
LogP5.44
Rot. Bonds2

About (NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine

(NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine (PubChem CID 11638112) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is (NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine
PubChem CID11638112
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name(NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine
SMILESO/N=C1\CCC(C2CCCCC2)=C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFNO/c18-14-10-12(6-8-15(14)19)17-13(7-9-16(17)20-21)11-4-2-1-3-5-11/h6,8,10-11,21H,1-5,7,9H2/b20-16+
InChIKeyMIQAYLDHNPZRJX-CAPFRKAQSA-N
XLogP5.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.80
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze (NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine (CID 11638112) is (NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine is O/N=C1\CCC(C2CCCCC2)=C1c1ccc(F)c(Cl)c1.
What is the InChIKey of (NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine?
The InChIKey is MIQAYLDHNPZRJX-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H19ClFNO/c18-14-10-12(6-8-15(14)19)17-13(7-9-16(17)20-21)11-4-2-1-3-5-11/h6,8,10-11,21H,1-5,7,9H2/b20-16+.
What are the key properties of (NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine?
(NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine has a molecular weight of 307.80 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(3-chloro-4-fluorophenyl)-3-cyclohexylcyclopent-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 11638112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).