N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine

C13H10BrNO — CID 3484095

IUPACN-[(4-bromophenyl)-phenylmethylidene]hydroxylamine
SMILESON=C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO/c14-12-8-6-11(7-9-12)13(15-16)10-4-2-1-3-5-10/h1-9,16H
InChIKeyVKYOCAGRKMNDPB-UHFFFAOYSA-N
MW276.13 g/mol
LogP3.68
Rot. Bonds2

About N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine

N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine (PubChem CID 3484095) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-phenylmethylidene]hydroxylamine
PubChem CID3484095
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC NameN-[(4-bromophenyl)-phenylmethylidene]hydroxylamine
SMILESON=C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO/c14-12-8-6-11(7-9-12)13(15-16)10-4-2-1-3-5-10/h1-9,16H
InChIKeyVKYOCAGRKMNDPB-UHFFFAOYSA-N
XLogP3.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.68
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 N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine (CID 3484095) is N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine is ON=C(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine?
The InChIKey is VKYOCAGRKMNDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO/c14-12-8-6-11(7-9-12)13(15-16)10-4-2-1-3-5-10/h1-9,16H.
What are the key properties of N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine?
N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine has a molecular weight of 276.13 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 3484095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).