N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C20H23ClF3N3 — CID 142322771

IUPACN'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2ccc(Cl)cc2C(F)(F)F)cc1C
InChIInChI=1S/C20H23ClF3N3/c1-6-26(4)12-25-17-9-14(3)19(10-13(17)2)27(5)18-8-7-15(21)11-16(18)20(22,23)24/h7-12H,6H2,1-5H3/b25-12+
InChIKeyVTBDMHICZLJLLQ-BRJLIKDPSA-N
MW397.87 g/mol
LogP6.36
Rot. Bonds5

About N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 142322771) has the molecular formula C20H23ClF3N3 and a molecular weight of 397.87 g/mol. Its IUPAC name is N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID142322771
Molecular FormulaC20H23ClF3N3
Molecular Weight397.87 g/mol
Exact Mass397.15
IUPAC NameN'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2ccc(Cl)cc2C(F)(F)F)cc1C
InChIInChI=1S/C20H23ClF3N3/c1-6-26(4)12-25-17-9-14(3)19(10-13(17)2)27(5)18-8-7-15(21)11-16(18)20(22,23)24/h7-12H,6H2,1-5H3/b25-12+
InChIKeyVTBDMHICZLJLLQ-BRJLIKDPSA-N
XLogP6.36
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.87
LogP ≤ 56.36
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'}

Analyze N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 328695
CID 328695
CID 57771289
CID 57771289
CID 130242279
CID 130242279
CID 141150763
CID 141150763
CID 141150764
CID 141150764
CID 141150767
CID 141150767
CID 141150777
CID 141150777
CID 142322768
CID 142322768
CID 142322779
CID 142322779
CID 142322780
CID 142322780
CID 142322782
CID 142322782
CID 142322784
CID 142322784

Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 142322771) is N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(N(C)c2ccc(Cl)cc2C(F)(F)F)cc1C.
What is the InChIKey of N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is VTBDMHICZLJLLQ-BRJLIKDPSA-N. The full InChI is InChI=1S/C20H23ClF3N3/c1-6-26(4)12-25-17-9-14(3)19(10-13(17)2)27(5)18-8-7-15(21)11-16(18)20(22,23)24/h7-12H,6H2,1-5H3/b25-12+.
What are the key properties of N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 397.87 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 142322771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).