N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide

C8H7BrClN3O2 — CID 169365087

IUPACN'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H7BrClN3O2/c9-6-3-5(13(14)15)1-2-7(6)12-8(11)4-10/h1-3H,4H2,(H2,11,12)
InChIKeyMICROUXZGMWYQF-UHFFFAOYSA-N
MW292.52 g/mol
LogP2.58
Rot. Bonds3

About N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide

N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide (PubChem CID 169365087) has the molecular formula C8H7BrClN3O2 and a molecular weight of 292.52 g/mol. Its IUPAC name is N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide
PubChem CID169365087
Molecular FormulaC8H7BrClN3O2
Molecular Weight292.52 g/mol
Exact Mass290.94
IUPAC NameN'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H7BrClN3O2/c9-6-3-5(13(14)15)1-2-7(6)12-8(11)4-10/h1-3H,4H2,(H2,11,12)
InChIKeyMICROUXZGMWYQF-UHFFFAOYSA-N
XLogP2.58
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[2-(difluoromethoxy)-5-nitrophenyl]ethanimidamide
CID 169366177
N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide
CID 169365471
N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide
CID 169369696
3-[(1-amino-2-chloroethylidene)amino]-4-nitrobenzamide
CID 169368533
N'-[5-bromo-2-nitro-4-(trifluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169366114
2-chloro-N'-(4,6-dibromo-2-methyl-3-nitrophenyl)ethanimidamide
CID 169367133
2-chloro-N'-(3-fluoro-5-nitrophenyl)ethanimidamide
CID 169366207
N'-(4-bromo-2-nitro-5-phenylmethoxyphenyl)-2-chloroethanimidamide
CID 169366129
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
2-(2-hydroxy-4-nitrophenyl)guanidine
CID 174617982
2-(2-methyl-5-nitrophenyl)guanidine
CID 11528992

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide (CID 169365087) is N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide is N/C(CCl)=N/c1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide?
The InChIKey is MICROUXZGMWYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3O2/c9-6-3-5(13(14)15)1-2-7(6)12-8(11)4-10/h1-3H,4H2,(H2,11,12).
What are the key properties of N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide?
N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide has a molecular weight of 292.52 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169365087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).