(NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine

C16H12ClNO2 — CID 11550972

IUPAC(NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine
SMILESCc1c(/C(=N/O)c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H12ClNO2/c1-10-13-9-12(17)7-8-14(13)20-16(10)15(18-19)11-5-3-2-4-6-11/h2-9,19H,1H3/b18-15+
InChIKeyORZFSJFUEQWSNH-OBGWFSINSA-N
MW285.73 g/mol
LogP4.62
Rot. Bonds2

About (NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine

(NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine (PubChem CID 11550972) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is (NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine
PubChem CID11550972
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name(NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine
SMILESCc1c(/C(=N/O)c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H12ClNO2/c1-10-13-9-12(17)7-8-14(13)20-16(10)15(18-19)11-5-3-2-4-6-11/h2-9,19H,1H3/b18-15+
InChIKeyORZFSJFUEQWSNH-OBGWFSINSA-N
XLogP4.62
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine (CID 11550972) is (NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine is Cc1c(/C(=N/O)c2ccccc2)oc2ccc(Cl)cc12.
What is the InChIKey of (NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
The InChIKey is ORZFSJFUEQWSNH-OBGWFSINSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-10-13-9-12(17)7-8-14(13)20-16(10)15(18-19)11-5-3-2-4-6-11/h2-9,19H,1H3/b18-15+.
What are the key properties of (NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
(NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine has a molecular weight of 285.73 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 11550972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).