2-chloro-6-phenoxybenzenecarboximidamide

C13H11ClN2O — CID 53416807

IUPAC2-chloro-6-phenoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1ccccc1
InChIInChI=1S/C13H11ClN2O/c14-10-7-4-8-11(12(10)13(15)16)17-9-5-2-1-3-6-9/h1-8H,(H3,15,16)
InChIKeySFQGJCKDGVATNC-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.42
Rot. Bonds3

About 2-chloro-6-phenoxybenzenecarboximidamide

2-chloro-6-phenoxybenzenecarboximidamide (PubChem CID 53416807) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-chloro-6-phenoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-phenoxybenzenecarboximidamide
PubChem CID53416807
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-chloro-6-phenoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1ccccc1
InChIInChI=1S/C13H11ClN2O/c14-10-7-4-8-11(12(10)13(15)16)17-9-5-2-1-3-6-9/h1-8H,(H3,15,16)
InChIKeySFQGJCKDGVATNC-UHFFFAOYSA-N
XLogP3.42
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494
2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
CID 62496843
2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 62495683
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide
CID 116689225
2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide
CID 63992956
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174833
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-phenoxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-phenoxybenzenecarboximidamide (CID 53416807) is 2-chloro-6-phenoxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-phenoxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-phenoxybenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Oc1ccccc1.
What is the InChIKey of 2-chloro-6-phenoxybenzenecarboximidamide?
The InChIKey is SFQGJCKDGVATNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-10-7-4-8-11(12(10)13(15)16)17-9-5-2-1-3-6-9/h1-8H,(H3,15,16).
What are the key properties of 2-chloro-6-phenoxybenzenecarboximidamide?
2-chloro-6-phenoxybenzenecarboximidamide has a molecular weight of 246.70 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-phenoxybenzenecarboximidamide is sourced from PubChem (CID 53416807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).