N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide

C19H21ClF3N3 — CID 142322898

IUPACN'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C19H21ClF3N3/c1-5-25(3)12-24-17-9-13(2)18(11-16(17)20)26(4)15-8-6-7-14(10-15)19(21,22)23/h6-12H,5H2,1-4H3/b24-12+
InChIKeyHBPWEZFPXCJTQK-WYMPLXKRSA-N
MW383.85 g/mol
LogP6.05
Rot. Bonds5

About N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 142322898) has the molecular formula C19H21ClF3N3 and a molecular weight of 383.85 g/mol. Its IUPAC name is N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID142322898
Molecular FormulaC19H21ClF3N3
Molecular Weight383.85 g/mol
Exact Mass383.14
IUPAC NameN'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C19H21ClF3N3/c1-5-25(3)12-24-17-9-13(2)18(11-16(17)20)26(4)15-8-6-7-14(10-15)19(21,22)23/h6-12H,5H2,1-4H3/b24-12+
InChIKeyHBPWEZFPXCJTQK-WYMPLXKRSA-N
XLogP6.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.85
LogP ≤ 56.05
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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Related Compounds

N'-[2-chloro-5-methyl-4-[N-methyl-3,5-bis(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 142322821
N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146381089
N'-[4-(3-chloro-N-methylanilino)-2-fluoro-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 151658786
N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197787
N'-[2-chloro-5-methyl-4-[2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197912
N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide
CID 146381003
[3-(trifluoromethyl)phenyl]methyl 4-[[ethyl(methyl)amino]methylideneamino]-2-fluoro-5-methylbenzoate
CID 155325110
N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154648071
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 154647900
N'-[2-chloro-4-[2-[N-(cyclopropylmethyl)-S-(trifluoromethyl)sulfonimidoyl]phenoxy]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146546094
N'-[2-chloro-4-[2-(4-chlorophenoxy)acetyl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362957

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide (CID 142322898) is N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(N(C)c2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is HBPWEZFPXCJTQK-WYMPLXKRSA-N. The full InChI is InChI=1S/C19H21ClF3N3/c1-5-25(3)12-24-17-9-13(2)18(11-16(17)20)26(4)15-8-6-7-14(10-15)19(21,22)23/h6-12H,5H2,1-4H3/b24-12+.
What are the key properties of N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 383.85 g/mol, XLogP of 6.05, 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-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 142322898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).