3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C15H19F3N4O3 — CID 18144697

IUPAC3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)NC(=O)NC(=O)CNc1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N4O3/c1-9(2)21-14(25)22-12(23)7-19-11-5-3-4-10(6-11)13(24)20-8-15(16,17)18/h3-6,9,19H,7-8H2,1-2H3,(H,20,24)(H2,21,22,23,25)
InChIKeyCCUKMXBJJNHSHW-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.62
Rot. Bonds6

About 3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 18144697) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID18144697
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC Name3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)NC(=O)NC(=O)CNc1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N4O3/c1-9(2)21-14(25)22-12(23)7-19-11-5-3-4-10(6-11)13(24)20-8-15(16,17)18/h3-6,9,19H,7-8H2,1-2H3,(H,20,24)(H2,21,22,23,25)
InChIKeyCCUKMXBJJNHSHW-UHFFFAOYSA-N
XLogP1.62
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 18144699
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55932655
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
methyl 3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoate
CID 108992868
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 18144697) is 3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is CC(C)NC(=O)NC(=O)CNc1cccc(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is CCUKMXBJJNHSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3/c1-9(2)21-14(25)22-12(23)7-19-11-5-3-4-10(6-11)13(24)20-8-15(16,17)18/h3-6,9,19H,7-8H2,1-2H3,(H,20,24)(H2,21,22,23,25).
What are the key properties of 3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 360.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 18144697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).