N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide

C18H19ClF3N3 — CID 142322913

IUPACN'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2cc(F)c(F)c(F)c2)cc1Cl
InChIInChI=1S/C18H19ClF3N3/c1-5-24(3)10-23-16-6-11(2)17(9-13(16)19)25(4)12-7-14(20)18(22)15(21)8-12/h6-10H,5H2,1-4H3/b23-10+
InChIKeyXRLKWEKQXCUKHE-AUEPDCJTSA-N
MW369.82 g/mol
LogP5.45
Rot. Bonds5

About N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 142322913) has the molecular formula C18H19ClF3N3 and a molecular weight of 369.82 g/mol. Its IUPAC name is N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID142322913
Molecular FormulaC18H19ClF3N3
Molecular Weight369.82 g/mol
Exact Mass369.12
IUPAC NameN'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2cc(F)c(F)c(F)c2)cc1Cl
InChIInChI=1S/C18H19ClF3N3/c1-5-24(3)10-23-16-6-11(2)17(9-13(16)19)25(4)12-7-14(20)18(22)15(21)8-12/h6-10H,5H2,1-4H3/b23-10+
InChIKeyXRLKWEKQXCUKHE-AUEPDCJTSA-N
XLogP5.45
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.82
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2,6-dichloro-4-[(3-fluorophenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide
CID 13059656
1-(2-Chloro-5-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]-3-methylguanidine
CID 10760693
2-[2-Chloro-5-(trifluoromethyl)phenyl]-1-(3-ethylphenyl)-1-methylguanidine
CID 10832075
1-(2-Chloro-5-ethylphenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]guanidine
CID 22120115
N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-(2-fluorophenyl)acetamide
CID 141761319
2-chloro-4-N,5-dimethyl-4-N-(3,4,5-trifluorophenyl)benzene-1,4-diamine
CID 141761325
5-chloro-N-(2-fluorophenyl)-N,2-dimethyl-4-(thiomorpholin-4-ylmethylideneamino)aniline
CID 141761331
5-chloro-N-(2-fluorophenyl)-N,2-dimethyl-4-(morpholin-4-ylmethylideneamino)aniline
CID 141761333
N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-(2-fluorophenyl)propanamide
CID 141761334
N'-[4-[4-chloro-N-methyl-2-(trifluoromethyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322771
N'-[2-chloro-4-[3-(difluoromethylsulfanyl)-N-methylanilino]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322773
N'-[2-chloro-4-(2,6-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322779

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide (CID 142322913) is N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(N(C)c2cc(F)c(F)c(F)c2)cc1Cl.
What is the InChIKey of N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is XRLKWEKQXCUKHE-AUEPDCJTSA-N. The full InChI is InChI=1S/C18H19ClF3N3/c1-5-24(3)10-23-16-6-11(2)17(9-13(16)19)25(4)12-7-14(20)18(22)15(21)8-12/h6-10H,5H2,1-4H3/b23-10+.
What are the key properties of N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 369.82 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 142322913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).