N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide

C15H15ClN2O — CID 525798

IUPACN'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide
SMILESCCOc1ccc(N/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O/c1-2-19-15-9-7-14(8-10-15)18-11-17-13-5-3-12(16)4-6-13/h3-11H,2H2,1H3,(H,17,18)
InChIKeyXDEFUYUJCNOMQI-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.51
Rot. Bonds5

About N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide

N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide (PubChem CID 525798) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide
PubChem CID525798
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide
SMILESCCOc1ccc(N/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O/c1-2-19-15-9-7-14(8-10-15)18-11-17-13-5-3-12(16)4-6-13/h3-11H,2H2,1H3,(H,17,18)
InChIKeyXDEFUYUJCNOMQI-UHFFFAOYSA-N
XLogP4.51
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.51
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-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline
CID 3537929
dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)
CID 50933370
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
N-(3,5-dichlorophenyl)-1-(4-ethoxyphenyl)methanimine
CID 693665
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
1-(4-chlorophenyl)-3-(4-ethoxyanilino)but-2-en-1-one
CID 799424
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
(3R,4S)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)-4-[(4-ethoxyphenyl)iminomethyl]azetidin-2-one
CID 92661024

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide?
The IUPAC name of N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide (CID 525798) is N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide is CCOc1ccc(N/C=N/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide?
The InChIKey is XDEFUYUJCNOMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-2-19-15-9-7-14(8-10-15)18-11-17-13-5-3-12(16)4-6-13/h3-11H,2H2,1H3,(H,17,18).
What are the key properties of N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide?
N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide has a molecular weight of 274.75 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide is sourced from PubChem (CID 525798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).