2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide

C14H12ClN3O3 — CID 62307325

IUPAC2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H12ClN3O3/c1-8-2-4-10(14(16)17)13(6-8)21-9-3-5-12(18(19)20)11(15)7-9/h2-7H,1H3,(H3,16,17)
InChIKeyIFZHQBVMXFZFNZ-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.63
Rot. Bonds4

About 2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide

2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide (PubChem CID 62307325) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide
PubChem CID62307325
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H12ClN3O3/c1-8-2-4-10(14(16)17)13(6-8)21-9-3-5-12(18(19)20)11(15)7-9/h2-7H,1H3,(H3,16,17)
InChIKeyIFZHQBVMXFZFNZ-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
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
2-bromo-4-(5-chloro-2-nitrophenoxy)benzenecarboximidamide
CID 107279610
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218
5-bromo-2-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114893294
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 107930807
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarboximidamide
CID 64601574
5-(2-chloro-4-methylphenoxy)-2-nitrobenzoic acid
CID 18336652
1-[4-(2-chloro-5-methylphenoxy)-2-nitrophenyl]ethanone
CID 104529848
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide (CID 62307325) is 2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Oc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide?
The InChIKey is IFZHQBVMXFZFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-2-4-10(14(16)17)13(6-8)21-9-3-5-12(18(19)20)11(15)7-9/h2-7H,1H3,(H3,16,17).
What are the key properties of 2-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide?
2-(3-chloro-4-nitrophenoxy)-4-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-(3-chloro-4-nitrophenoxy)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62307325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).