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

C19H17ClN2 — CID 44531351

IUPACN'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide
SMILESN/C(=N\CCc1ccccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H17ClN2/c20-18-8-4-3-6-15(18)11-12-22-19(21)17-10-9-14-5-1-2-7-16(14)13-17/h1-10,13H,11-12H2,(H2,21,22)
InChIKeyLTVPXCJULADODR-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.44
Rot. Bonds4

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

N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide (PubChem CID 44531351) has the molecular formula C19H17ClN2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide
PubChem CID44531351
Molecular FormulaC19H17ClN2
Molecular Weight308.81 g/mol
Exact Mass308.11
IUPAC NameN'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide
SMILESN/C(=N\CCc1ccccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H17ClN2/c20-18-8-4-3-6-15(18)11-12-22-19(21)17-10-9-14-5-1-2-7-16(14)13-17/h1-10,13H,11-12H2,(H2,21,22)
InChIKeyLTVPXCJULADODR-UHFFFAOYSA-N
XLogP4.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.44
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'}

Analyze N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide?
The IUPAC name of N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide (CID 44531351) is N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide.
What is the SMILES notation for N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide?
The canonical SMILES for N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide is N/C(=N\CCc1ccccc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide?
The InChIKey is LTVPXCJULADODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2/c20-18-8-4-3-6-15(18)11-12-22-19(21)17-10-9-14-5-1-2-7-16(14)13-17/h1-10,13H,11-12H2,(H2,21,22).
What are the key properties of N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide?
N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide has a molecular weight of 308.81 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 44531351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).