(NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine

C14H12ClNO — CID 164677566

IUPAC(NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO/c1-10(16-17)13-7-2-3-8-14(13)11-5-4-6-12(15)9-11/h2-9,17H,1H3/b16-10+
InChIKeyOQWGWJKNIRIHFM-MHWRWJLKSA-N
MW245.71 g/mol
LogP4.21
Rot. Bonds2

About (NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine (PubChem CID 164677566) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is (NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine
PubChem CID164677566
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name(NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO/c1-10(16-17)13-7-2-3-8-14(13)11-5-4-6-12(15)9-11/h2-9,17H,1H3/b16-10+
InChIKeyOQWGWJKNIRIHFM-MHWRWJLKSA-N
XLogP4.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 54.21
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine (CID 164677566) is (NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of (NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine?
The InChIKey is OQWGWJKNIRIHFM-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-10(16-17)13-7-2-3-8-14(13)11-5-4-6-12(15)9-11/h2-9,17H,1H3/b16-10+.
What are the key properties of (NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine has a molecular weight of 245.71 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 164677566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).