2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride

C21H20Cl2N2O — CID 163339871

IUPAC2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride
SMILESCOc1ccc(N/C(=N/c2ccc(C)cc2)c2ccccc2Cl)cc1.Cl
InChIInChI=1S/C21H19ClN2O.ClH/c1-15-7-9-16(10-8-15)23-21(19-5-3-4-6-20(19)22)24-17-11-13-18(25-2)14-12-17;/h3-14H,1-2H3,(H,23,24);1H
InChIKeyXBIWWHPQBNSDGR-UHFFFAOYSA-N
MW387.31 g/mol
LogP6.27
Rot. Bonds4

About 2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride

2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride (PubChem CID 163339871) has the molecular formula C21H20Cl2N2O and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride
PubChem CID163339871
Molecular FormulaC21H20Cl2N2O
Molecular Weight387.31 g/mol
Exact Mass386.10
IUPAC Name2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride
SMILESCOc1ccc(N/C(=N/c2ccc(C)cc2)c2ccccc2Cl)cc1.Cl
InChIInChI=1S/C21H19ClN2O.ClH/c1-15-7-9-16(10-8-15)23-21(19-5-3-4-6-20(19)22)24-17-11-13-18(25-2)14-12-17;/h3-14H,1-2H3,(H,23,24);1H
InChIKeyXBIWWHPQBNSDGR-UHFFFAOYSA-N
XLogP6.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.31
LogP ≤ 56.27
H-Bond Donors ≤ 51
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-methoxy-N'-(4-methoxyphenyl)-N-phenylbenzenecarboximidamide;hydrochloride
CID 72949778
N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide
CID 3345579
ethyl 4-[[C-(2-chlorophenyl)-N-(4-ethoxycarbonylphenyl)carbonimidoyl]amino]benzoate
CID 15734501
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride
CID 163339593
CID 12548943
CID 12548943
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
(2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one
CID 11315148
2-(4-ethoxyphenyl)-1,3-bis(4-methoxyphenyl)guanidine;hydrochloride
CID 10827
[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
CID 8917316
N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride
CID 163339966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride (CID 163339871) is 2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride is COc1ccc(N/C(=N/c2ccc(C)cc2)c2ccccc2Cl)cc1.Cl.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride?
The InChIKey is XBIWWHPQBNSDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O.ClH/c1-15-7-9-16(10-8-15)23-21(19-5-3-4-6-20(19)22)24-17-11-13-18(25-2)14-12-17;/h3-14H,1-2H3,(H,23,24);1H.
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride?
2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride has a molecular weight of 387.31 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 163339871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).