2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide

C8H9BrClN3O — CID 81270434

IUPAC2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide
SMILESN/C(CNc1ccc(Cl)cc1Br)=N/O
InChIInChI=1S/C8H9BrClN3O/c9-6-3-5(10)1-2-7(6)12-4-8(11)13-14/h1-3,12,14H,4H2,(H2,11,13)
InChIKeyPCYJFQDTXNTZLM-UHFFFAOYSA-N
MW278.54 g/mol
LogP2.26
Rot. Bonds3

About 2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide

2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide (PubChem CID 81270434) has the molecular formula C8H9BrClN3O and a molecular weight of 278.54 g/mol. Its IUPAC name is 2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide
PubChem CID81270434
Molecular FormulaC8H9BrClN3O
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide
SMILESN/C(CNc1ccc(Cl)cc1Br)=N/O
InChIInChI=1S/C8H9BrClN3O/c9-6-3-5(10)1-2-7(6)12-4-8(11)13-14/h1-3,12,14H,4H2,(H2,11,13)
InChIKeyPCYJFQDTXNTZLM-UHFFFAOYSA-N
XLogP2.26
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-(2-bromo-5-chloroanilino)-N'-hydroxyethanimidamide
CID 81271015
2-bromo-4-chloro-N-(2-methylidenebutyl)aniline
CID 81271581
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride
CID 159447915
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide
CID 77069981
2-bromo-4-chloro-N-(2-fluoroethyl)aniline
CID 81270421
(2-bromo-4-chlorophenyl)urea
CID 81003362
3-[(2-bromo-4-chloroanilino)methyl]benzamide
CID 80979619
2-[(2-bromo-4-chloroanilino)methyl]-3-chlorophenol
CID 114318253
N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline
CID 81262192

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide (CID 81270434) is 2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide is N/C(CNc1ccc(Cl)cc1Br)=N/O.
What is the InChIKey of 2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide?
The InChIKey is PCYJFQDTXNTZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O/c9-6-3-5(10)1-2-7(6)12-4-8(11)13-14/h1-3,12,14H,4H2,(H2,11,13).
What are the key properties of 2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide?
2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide has a molecular weight of 278.54 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 81270434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).