N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide

C20H22F3N3O2 — CID 38167227

IUPACN-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O2/c1-2-15-5-3-4-6-17(15)26-18(27)13-25-19(28)24-12-11-14-7-9-16(10-8-14)20(21,22)23/h3-10H,2,11-13H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyANNMODJBOGGAKS-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.75
Rot. Bonds7

About N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide

N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide (PubChem CID 38167227) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
PubChem CID38167227
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O2/c1-2-15-5-3-4-6-17(15)26-18(27)13-25-19(28)24-12-11-14-7-9-16(10-8-14)20(21,22)23/h3-10H,2,11-13H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyANNMODJBOGGAKS-UHFFFAOYSA-N
XLogP3.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 46494014
1-(2-ethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3667887
N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
CID 47984901
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
CID 8626175
2-methyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 51162268
N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998950
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide
CID 60595680
N-(2-ethylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024292
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide (CID 38167227) is N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide is CCc1ccccc1NC(=O)CNC(=O)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
The InChIKey is ANNMODJBOGGAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-2-15-5-3-4-6-17(15)26-18(27)13-25-19(28)24-12-11-14-7-9-16(10-8-14)20(21,22)23/h3-10H,2,11-13H2,1H3,(H,26,27)(H2,24,25,28).
What are the key properties of N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide?
N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide has a molecular weight of 393.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide is sourced from PubChem (CID 38167227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).