4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide

C14H12Cl2N2O — CID 65126032

IUPAC4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O/c15-10-3-1-9(2-4-10)8-19-13-7-11(16)5-6-12(13)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyKIYINRAGMVNLTG-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.86
Rot. Bonds4

About 4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide

4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide (PubChem CID 65126032) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
PubChem CID65126032
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O/c15-10-3-1-9(2-4-10)8-19-13-7-11(16)5-6-12(13)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyKIYINRAGMVNLTG-UHFFFAOYSA-N
XLogP3.86
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.86
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

4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549
4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 113277412
2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide
CID 63094208
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide
CID 114323640
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 63093707
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide (CID 65126032) is 4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is KIYINRAGMVNLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-10-3-1-9(2-4-10)8-19-13-7-11(16)5-6-12(13)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide?
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 295.17 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 65126032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).