4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride

C14H14Cl2N2 — CID 3049232

IUPAC4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride
SMILESC/N=C(/Nc1ccccc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H13ClN2.ClH/c1-16-14(11-7-9-12(15)10-8-11)17-13-5-3-2-4-6-13;/h2-10H,1H3,(H,16,17);1H
InChIKeyCRXCPZWRDZEDMM-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.25
Rot. Bonds2

About 4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride

4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride (PubChem CID 3049232) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride
PubChem CID3049232
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride
SMILESC/N=C(/Nc1ccccc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H13ClN2.ClH/c1-16-14(11-7-9-12(15)10-8-11)17-13-5-3-2-4-6-13;/h2-10H,1H3,(H,16,17);1H
InChIKeyCRXCPZWRDZEDMM-UHFFFAOYSA-N
XLogP4.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.25
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 4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride (CID 3049232) is 4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride is C/N=C(/Nc1ccccc1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride?
The InChIKey is CRXCPZWRDZEDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2.ClH/c1-16-14(11-7-9-12(15)10-8-11)17-13-5-3-2-4-6-13;/h2-10H,1H3,(H,16,17);1H.
What are the key properties of 4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride?
4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride has a molecular weight of 281.19 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-methyl-N-phenylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3049232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).