N'-[(3-chlorophenyl)methyl]benzenecarboximidamide

C14H13ClN2 — CID 20706464

IUPACN'-[(3-chlorophenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13ClN2/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12/h1-9H,10H2,(H2,16,17)
InChIKeyAMCWZTJNWRMWDN-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.25
Rot. Bonds3

About N'-[(3-chlorophenyl)methyl]benzenecarboximidamide

N'-[(3-chlorophenyl)methyl]benzenecarboximidamide (PubChem CID 20706464) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]benzenecarboximidamide
PubChem CID20706464
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC NameN'-[(3-chlorophenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13ClN2/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12/h1-9H,10H2,(H2,16,17)
InChIKeyAMCWZTJNWRMWDN-UHFFFAOYSA-N
XLogP3.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.25
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'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The IUPAC name of N'-[(3-chlorophenyl)methyl]benzenecarboximidamide (CID 20706464) is N'-[(3-chlorophenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]benzenecarboximidamide is N/C(=N\Cc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
The InChIKey is AMCWZTJNWRMWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12/h1-9H,10H2,(H2,16,17).
What are the key properties of N'-[(3-chlorophenyl)methyl]benzenecarboximidamide?
N'-[(3-chlorophenyl)methyl]benzenecarboximidamide has a molecular weight of 244.73 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 20706464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).