2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide

C14H12ClN3O3 — CID 107717023

IUPAC2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O3/c1-8-4-2-5-9(14(16)17)12(8)21-13-10(15)6-3-7-11(13)18(19)20/h2-7H,1H3,(H3,16,17)
InChIKeyNSKJSGPPNMJZMD-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.63
Rot. Bonds4

About 2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide

2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide (PubChem CID 107717023) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide
PubChem CID107717023
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O3/c1-8-4-2-5-9(14(16)17)12(8)21-13-10(15)6-3-7-11(13)18(19)20/h2-7H,1H3,(H3,16,17)
InChIKeyNSKJSGPPNMJZMD-UHFFFAOYSA-N
XLogP3.63
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(2-chloro-6-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 107717026
2-(2-chloro-5-nitrophenoxy)-3-methylbenzenecarboximidamide
CID 107110702
3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide
CID 107716974
2-(2-chloro-6-nitrophenoxy)ethanimidamide
CID 107717032
2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110642
2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
CID 81495765
2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide
CID 114769381
methyl 2-(2,6-dinitrophenoxy)-3-methylbenzoate
CID 2325346
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
CID 107060571
3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
CID 107060656

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide (CID 107717023) is 2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1Oc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide?
The InChIKey is NSKJSGPPNMJZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-4-2-5-9(14(16)17)12(8)21-13-10(15)6-3-7-11(13)18(19)20/h2-7H,1H3,(H3,16,17).
What are the key properties of 2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide?
2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide has a molecular weight of 305.72 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107717023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).