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

C17H17Cl2N3 — CID 71436952

IUPACN'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide
SMILESCc1cc(Cl)ccc1/N=C/N(C)/C=N/c1ccc(Cl)cc1C
InChIInChI=1S/C17H17Cl2N3/c1-12-8-14(18)4-6-16(12)20-10-22(3)11-21-17-7-5-15(19)9-13(17)2/h4-11H,1-3H3/b20-10+,21-11+
InChIKeyWZYAVEKQQOEOTC-CLVAPQHMSA-N
MW334.25 g/mol
LogP5.56
Rot. Bonds4

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

N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide (PubChem CID 71436952) has the molecular formula C17H17Cl2N3 and a molecular weight of 334.25 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide
PubChem CID71436952
Molecular FormulaC17H17Cl2N3
Molecular Weight334.25 g/mol
Exact Mass333.08
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide
SMILESCc1cc(Cl)ccc1/N=C/N(C)/C=N/c1ccc(Cl)cc1C
InChIInChI=1S/C17H17Cl2N3/c1-12-8-14(18)4-6-16(12)20-10-22(3)11-21-17-7-5-15(19)9-13(17)2/h4-11H,1-3H3/b20-10+,21-11+
InChIKeyWZYAVEKQQOEOTC-CLVAPQHMSA-N
XLogP5.56
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.25
LogP ≤ 55.56
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'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide (CID 71436952) is N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide is Cc1cc(Cl)ccc1/N=C/N(C)/C=N/c1ccc(Cl)cc1C.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide?
The InChIKey is WZYAVEKQQOEOTC-CLVAPQHMSA-N. The full InChI is InChI=1S/C17H17Cl2N3/c1-12-8-14(18)4-6-16(12)20-10-22(3)11-21-17-7-5-15(19)9-13(17)2/h4-11H,1-3H3/b20-10+,21-11+.
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide?
N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide has a molecular weight of 334.25 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide is sourced from PubChem (CID 71436952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).