N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide

C18H19ClF3N3O — CID 154647620

IUPACN'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)cc(Nc2ccccc2OC(F)(F)F)c1Cl
InChIInChI=1S/C18H19ClF3N3O/c1-4-25(3)11-23-14-9-12(2)10-15(17(14)19)24-13-7-5-6-8-16(13)26-18(20,21)22/h5-11,24H,4H2,1-3H3/b23-11+
InChIKeyBAHCXXGIYSMRTK-FOKLQQMPSA-N
MW385.82 g/mol
LogP5.90
Rot. Bonds6

About N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 154647620) has the molecular formula C18H19ClF3N3O and a molecular weight of 385.82 g/mol. Its IUPAC name is N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID154647620
Molecular FormulaC18H19ClF3N3O
Molecular Weight385.82 g/mol
Exact Mass385.12
IUPAC NameN'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)cc(Nc2ccccc2OC(F)(F)F)c1Cl
InChIInChI=1S/C18H19ClF3N3O/c1-4-25(3)11-23-14-9-12(2)10-15(17(14)19)24-13-7-5-6-8-16(13)26-18(20,21)22/h5-11,24H,4H2,1-3H3/b23-11+
InChIKeyBAHCXXGIYSMRTK-FOKLQQMPSA-N
XLogP5.90
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.82
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322874
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
N'-[2,5-dimethyl-4-[3-[[2-(trifluoromethoxy)phenyl]methoxy]oxetan-3-yl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 167445095
N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197650
N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide
CID 150769189
4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile
CID 63511232
N'-[2-chloro-3-(3-chloro-5-fluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154647616
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N'-[5-chloro-4-(4-methoxyanilino)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197725
4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 122282065
N'-[2-chloro-4-(4-fluoro-3-methoxyanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322849
N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197787

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide (CID 154647620) is N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)cc(Nc2ccccc2OC(F)(F)F)c1Cl.
What is the InChIKey of N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is BAHCXXGIYSMRTK-FOKLQQMPSA-N. The full InChI is InChI=1S/C18H19ClF3N3O/c1-4-25(3)11-23-14-9-12(2)10-15(17(14)19)24-13-7-5-6-8-16(13)26-18(20,21)22/h5-11,24H,4H2,1-3H3/b23-11+.
What are the key properties of N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 385.82 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 154647620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).