(NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine

C7H4BrClFNO — CID 163378744

IUPAC(NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Br)c(F)cc1Cl
InChIInChI=1S/C7H4BrClFNO/c8-5-1-4(3-11-12)6(9)2-7(5)10/h1-3,12H/b11-3+
InChIKeySUXVAKNUDNUFNS-QDEBKDIKSA-N
MW252.47 g/mol
LogP3.05
Rot. Bonds1

About (NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine

(NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine (PubChem CID 163378744) has the molecular formula C7H4BrClFNO and a molecular weight of 252.47 g/mol. Its IUPAC name is (NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine
PubChem CID163378744
Molecular FormulaC7H4BrClFNO
Molecular Weight252.47 g/mol
Exact Mass250.91
IUPAC Name(NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Br)c(F)cc1Cl
InChIInChI=1S/C7H4BrClFNO/c8-5-1-4(3-11-12)6(9)2-7(5)10/h1-3,12H/b11-3+
InChIKeySUXVAKNUDNUFNS-QDEBKDIKSA-N
XLogP3.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine (CID 163378744) is (NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine is O/N=C/c1cc(Br)c(F)cc1Cl.
What is the InChIKey of (NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine?
The InChIKey is SUXVAKNUDNUFNS-QDEBKDIKSA-N. The full InChI is InChI=1S/C7H4BrClFNO/c8-5-1-4(3-11-12)6(9)2-7(5)10/h1-3,12H/b11-3+.
What are the key properties of (NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine?
(NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine has a molecular weight of 252.47 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 163378744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).