(NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine

C19H12ClNO2 — CID 155527077

IUPAC(NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine
SMILESO/N=c1\cc(-c2cccc(Cl)c2)oc2c1ccc1ccccc12
InChIInChI=1S/C19H12ClNO2/c20-14-6-3-5-13(10-14)18-11-17(21-22)16-9-8-12-4-1-2-7-15(12)19(16)23-18/h1-11,22H/b21-17+
InChIKeyPXUQTXLDECAMOU-HEHNFIMWSA-N
MW321.76 g/mol
LogP5.20
Rot. Bonds1

About (NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine

(NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine (PubChem CID 155527077) has the molecular formula C19H12ClNO2 and a molecular weight of 321.76 g/mol. Its IUPAC name is (NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine
PubChem CID155527077
Molecular FormulaC19H12ClNO2
Molecular Weight321.76 g/mol
Exact Mass321.06
IUPAC Name(NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine
SMILESO/N=c1\cc(-c2cccc(Cl)c2)oc2c1ccc1ccccc12
InChIInChI=1S/C19H12ClNO2/c20-14-6-3-5-13(10-14)18-11-17(21-22)16-9-8-12-4-1-2-7-15(12)19(16)23-18/h1-11,22H/b21-17+
InChIKeyPXUQTXLDECAMOU-HEHNFIMWSA-N
XLogP5.20
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.76
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine (CID 155527077) is (NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine is O/N=c1\cc(-c2cccc(Cl)c2)oc2c1ccc1ccccc12.
What is the InChIKey of (NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine?
The InChIKey is PXUQTXLDECAMOU-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H12ClNO2/c20-14-6-3-5-13(10-14)18-11-17(21-22)16-9-8-12-4-1-2-7-15(12)19(16)23-18/h1-11,22H/b21-17+.
What are the key properties of (NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine?
(NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine has a molecular weight of 321.76 g/mol, XLogP of 5.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(3-chlorophenyl)benzo[h]chromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 155527077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).