4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide

C16H22F3N3O — CID 163372580

IUPAC4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)N(C)CC(F)(F)F)cc1C
InChIInChI=1S/C16H22F3N3O/c1-6-21(4)10-20-14-8-11(2)13(7-12(14)3)15(23)22(5)9-16(17,18)19/h7-8,10H,6,9H2,1-5H3/b20-10+
InChIKeyPEHWUFZDMOALRE-KEBDBYFISA-N
MW329.37 g/mol
LogP3.55
Rot. Bonds5

About 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide

4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 163372580) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID163372580
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)N(C)CC(F)(F)F)cc1C
InChIInChI=1S/C16H22F3N3O/c1-6-21(4)10-20-14-8-11(2)13(7-12(14)3)15(23)22(5)9-16(17,18)19/h7-8,10H,6,9H2,1-5H3/b20-10+
InChIKeyPEHWUFZDMOALRE-KEBDBYFISA-N
XLogP3.55
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.55
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'-[2,5-dimethyl-4-(4,4,4-trifluorobutanoyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 170655962
4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide
CID 163372573
N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 170655938
N-ethyl-N'-[4-[2-(4-ethylphenyl)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 163372451
N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 170655932
(5-bromo-4,4,5,5-tetrafluoropentyl) 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155325300
N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid
CID 118310253
4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide
CID 163372679
N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 150453946
4-[[ethyl(methyl)amino]methylideneamino]-5-fluoro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 163372690
N'-[2,5-dimethyl-4-[5-(trifluoromethyl)indole-1-carbonyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 163372536
[2-(trifluoromethyl)-4-pyridinyl]methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155325248

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide (CID 163372580) is 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide is CCN(C)/C=N/c1cc(C)c(C(=O)N(C)CC(F)(F)F)cc1C.
What is the InChIKey of 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is PEHWUFZDMOALRE-KEBDBYFISA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-6-21(4)10-20-14-8-11(2)13(7-12(14)3)15(23)22(5)9-16(17,18)19/h7-8,10H,6,9H2,1-5H3/b20-10+.
What are the key properties of 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide?
4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 329.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 163372580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).