2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide

C18H18ClF3N2O — CID 109011119

IUPAC2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CNc1ccc(Cl)cc1C(F)(F)F)c1cccc(C)c1
InChIInChI=1S/C18H18ClF3N2O/c1-3-24(14-6-4-5-12(2)9-14)17(25)11-23-16-8-7-13(19)10-15(16)18(20,21)22/h4-10,23H,3,11H2,1-2H3
InChIKeySLGNLQODCODMJQ-UHFFFAOYSA-N
MW370.80 g/mol
LogP5.13
Rot. Bonds5

About 2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide

2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 109011119) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID109011119
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CNc1ccc(Cl)cc1C(F)(F)F)c1cccc(C)c1
InChIInChI=1S/C18H18ClF3N2O/c1-3-24(14-6-4-5-12(2)9-14)17(25)11-23-16-8-7-13(19)10-15(16)18(20,21)22/h4-10,23H,3,11H2,1-2H3
InChIKeySLGNLQODCODMJQ-UHFFFAOYSA-N
XLogP5.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.80
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide
CID 108518687
2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108998199
N-ethyl-2-(2-methoxy-5-methylanilino)-N-(3-methylphenyl)acetamide
CID 109009248
5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 47077810
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 109009943
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide
CID 113002146
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
CID 109034313
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 113229852
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379
2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113171988

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide (CID 109011119) is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CNc1ccc(Cl)cc1C(F)(F)F)c1cccc(C)c1.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is SLGNLQODCODMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O/c1-3-24(14-6-4-5-12(2)9-14)17(25)11-23-16-8-7-13(19)10-15(16)18(20,21)22/h4-10,23H,3,11H2,1-2H3.
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 370.80 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 109011119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).