4-chloro-2-(4-propylphenoxy)benzenecarboximidamide

C16H17ClN2O — CID 63524864

IUPAC4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(CCC)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-3-11-4-7-13(8-5-11)20-15-10-12(17)6-9-14(15)16(18)19/h4-10H,2-3H2,1H3,(H3,18,19)
InChIKeySMJCKKKPHLIDRA-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.37
Rot. Bonds5

About 4-chloro-2-(4-propylphenoxy)benzenecarboximidamide

4-chloro-2-(4-propylphenoxy)benzenecarboximidamide (PubChem CID 63524864) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-2-(4-propylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
PubChem CID63524864
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(CCC)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-3-11-4-7-13(8-5-11)20-15-10-12(17)6-9-14(15)16(18)19/h4-10H,2-3H2,1H3,(H3,18,19)
InChIKeySMJCKKKPHLIDRA-UHFFFAOYSA-N
XLogP4.37
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.37
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-methoxyphenoxy)benzenecarboximidamide
CID 63093186
2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide
CID 63523810
2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
CID 81276494
4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
5-chloro-2-(4-propylphenoxy)benzenecarbothioamide
CID 63518437
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
CID 63092515
4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 63094383
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-propylphenoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(4-propylphenoxy)benzenecarboximidamide (CID 63524864) is 4-chloro-2-(4-propylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(4-propylphenoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(4-propylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Oc1ccc(CCC)cc1.
What is the InChIKey of 4-chloro-2-(4-propylphenoxy)benzenecarboximidamide?
The InChIKey is SMJCKKKPHLIDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-3-11-4-7-13(8-5-11)20-15-10-12(17)6-9-14(15)16(18)19/h4-10H,2-3H2,1H3,(H3,18,19).
What are the key properties of 4-chloro-2-(4-propylphenoxy)benzenecarboximidamide?
4-chloro-2-(4-propylphenoxy)benzenecarboximidamide has a molecular weight of 288.78 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-propylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 63524864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).