N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide

C17H17F2N3 — CID 20520631

IUPACN'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide
SMILESCc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2F)c(F)c1
InChIInChI=1S/C17H17F2N3/c1-12-4-6-16(14(18)8-12)20-10-22(3)11-21-17-7-5-13(2)9-15(17)19/h4-11H,1-3H3/b20-10+,21-11+
InChIKeyROAYXYWXCMQTND-CLVAPQHMSA-N
MW301.34 g/mol
LogP4.53
Rot. Bonds4

About N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide

N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide (PubChem CID 20520631) has the molecular formula C17H17F2N3 and a molecular weight of 301.34 g/mol. Its IUPAC name is N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide
PubChem CID20520631
Molecular FormulaC17H17F2N3
Molecular Weight301.34 g/mol
Exact Mass301.14
IUPAC NameN'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide
SMILESCc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2F)c(F)c1
InChIInChI=1S/C17H17F2N3/c1-12-4-6-16(14(18)8-12)20-10-22(3)11-21-17-7-5-13(2)9-15(17)19/h4-11H,1-3H3/b20-10+,21-11+
InChIKeyROAYXYWXCMQTND-CLVAPQHMSA-N
XLogP4.53
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide?
The IUPAC name of N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide (CID 20520631) is N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide.
What is the SMILES notation for N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide?
The canonical SMILES for N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide is Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2F)c(F)c1.
What is the InChIKey of N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide?
The InChIKey is ROAYXYWXCMQTND-CLVAPQHMSA-N. The full InChI is InChI=1S/C17H17F2N3/c1-12-4-6-16(14(18)8-12)20-10-22(3)11-21-17-7-5-13(2)9-15(17)19/h4-11H,1-3H3/b20-10+,21-11+.
What are the key properties of N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide?
N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide has a molecular weight of 301.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide is sourced from PubChem (CID 20520631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).