5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide

C14H12ClN3O3 — CID 62495102

IUPAC5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Oc1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O3/c1-8-3-2-4-12(13(8)18(19)20)21-11-6-5-9(15)7-10(11)14(16)17/h2-7H,1H3,(H3,16,17)
InChIKeyQCOWYNFYJINSJC-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.63
Rot. Bonds4

About 5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide

5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide (PubChem CID 62495102) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide
PubChem CID62495102
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Oc1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O3/c1-8-3-2-4-12(13(8)18(19)20)21-11-6-5-9(15)7-10(11)14(16)17/h2-7H,1H3,(H3,16,17)
InChIKeyQCOWYNFYJINSJC-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-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 107930807
5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 107930878
6-(3-methyl-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61037976
1-[5-chloro-2-(3-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 114856783
5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide
CID 107930786
2-(3-methyl-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551063
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
5-chloro-2-(3-chloro-2-nitrophenoxy)benzoic acid
CID 104839490
3-chloro-4-(3-methyl-2-nitrophenoxy)benzoic acid
CID 63090546
[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916758
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide (CID 62495102) is 5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1Oc1cccc(C)c1[N+](=O)[O-].
What is the InChIKey of 5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide?
The InChIKey is QCOWYNFYJINSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-3-2-4-12(13(8)18(19)20)21-11-6-5-9(15)7-10(11)14(16)17/h2-7H,1H3,(H3,16,17).
What are the key properties of 5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide?
5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide 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 5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 62495102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).