N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine

C13H8BrCl2NO — CID 73431883

IUPACN-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine
SMILESON=C(c1ccc(Br)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl2NO/c14-9-3-1-8(2-4-9)13(17-18)11-6-5-10(15)7-12(11)16/h1-7,18H
InChIKeyMEJNFPNGQLKNCF-UHFFFAOYSA-N
MW345.02 g/mol
LogP4.98
Rot. Bonds2

About N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine

N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine (PubChem CID 73431883) has the molecular formula C13H8BrCl2NO and a molecular weight of 345.02 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine
PubChem CID73431883
Molecular FormulaC13H8BrCl2NO
Molecular Weight345.02 g/mol
Exact Mass342.92
IUPAC NameN-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine
SMILESON=C(c1ccc(Br)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl2NO/c14-9-3-1-8(2-4-9)13(17-18)11-6-5-10(15)7-12(11)16/h1-7,18H
InChIKeyMEJNFPNGQLKNCF-UHFFFAOYSA-N
XLogP4.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.02
LogP ≤ 54.98
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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Related Compounds

(NE)-N-[(4-bromophenyl)-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methylidene]hydroxylamine
CID 40782577
4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114905058
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
4-bromo-N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126004546
(1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 155819579
(NZ)-N-[1-(2,4-dichlorophenyl)-2,2-difluoroethylidene]hydroxylamine
CID 22769416
2-(4-bromophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
CID 3302131
(4-bromophenyl)methyl 2,4-dichlorobenzoate
CID 1218346
2-(4-bromophenyl)-1-(2,4-dichlorophenyl)ethanimine
CID 162250904
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(5-bromo-2-iodophenyl)-(2,4-dichlorophenyl)methanone
CID 114032798

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine (CID 73431883) is N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine is ON=C(c1ccc(Br)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine?
The InChIKey is MEJNFPNGQLKNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NO/c14-9-3-1-8(2-4-9)13(17-18)11-6-5-10(15)7-12(11)16/h1-7,18H.
What are the key properties of N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine?
N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine has a molecular weight of 345.02 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 73431883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).