N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide

C18H15ClN2 — CID 20706437

IUPACN'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide
SMILESN/C(=N\Cc1ccccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H15ClN2/c19-17-8-4-3-7-16(17)12-21-18(20)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,21)
InChIKeyAEQRNCMYEJOFBY-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.40
Rot. Bonds3

About N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide

N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide (PubChem CID 20706437) has the molecular formula C18H15ClN2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide
PubChem CID20706437
Molecular FormulaC18H15ClN2
Molecular Weight294.78 g/mol
Exact Mass294.09
IUPAC NameN'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide
SMILESN/C(=N\Cc1ccccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H15ClN2/c19-17-8-4-3-7-16(17)12-21-18(20)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,21)
InChIKeyAEQRNCMYEJOFBY-UHFFFAOYSA-N
XLogP4.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide (CID 20706437) is N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide is N/C(=N\Cc1ccccc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide?
The InChIKey is AEQRNCMYEJOFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c19-17-8-4-3-7-16(17)12-21-18(20)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H2,20,21).
What are the key properties of N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide?
N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide has a molecular weight of 294.78 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 20706437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).