2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H18F6N2O — CID 24506960

IUPAC2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F6N2O/c1-2-27(11-13-7-9-14(10-8-13)18(20,21)22)12-17(28)26-16-6-4-3-5-15(16)19(23,24)25/h3-10H,2,11-12H2,1H3,(H,26,28)
InChIKeySXMGJWRJTMHWFU-UHFFFAOYSA-N
MW404.35 g/mol
LogP5.18
Rot. Bonds6

About 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 24506960) has the molecular formula C19H18F6N2O and a molecular weight of 404.35 g/mol. Its IUPAC name is 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID24506960
Molecular FormulaC19H18F6N2O
Molecular Weight404.35 g/mol
Exact Mass404.13
IUPAC Name2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F6N2O/c1-2-27(11-13-7-9-14(10-8-13)18(20,21)22)12-17(28)26-16-6-4-3-5-15(16)19(23,24)25/h3-10H,2,11-12H2,1H3,(H,26,28)
InChIKeySXMGJWRJTMHWFU-UHFFFAOYSA-N
XLogP5.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.35
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26514549
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78832350
4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid
CID 119934823
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030856
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 40710223
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-(2-cyanoethyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 34691947
(E)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26356752
N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947
2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120847394

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 24506960) is 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SXMGJWRJTMHWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2O/c1-2-27(11-13-7-9-14(10-8-13)18(20,21)22)12-17(28)26-16-6-4-3-5-15(16)19(23,24)25/h3-10H,2,11-12H2,1H3,(H,26,28).
What are the key properties of 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 404.35 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24506960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).