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

C15H19F3N4O3 — CID 55932655

IUPACN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N4O3/c1-9(2)21-14(25)22-11-5-3-4-10(6-11)13(24)19-7-12(23)20-8-15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H2,21,22,25)
InChIKeyUYOMUOSNJXGNTC-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.62
Rot. Bonds6

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

N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55932655) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55932655
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N4O3/c1-9(2)21-14(25)22-11-5-3-4-10(6-11)13(24)19-7-12(23)20-8-15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H2,21,22,25)
InChIKeyUYOMUOSNJXGNTC-UHFFFAOYSA-N
XLogP1.62
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 18144697
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 119737424
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833634
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 162568619
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
CID 119254635
2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid
CID 22092707

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 55932655) is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)NCC(=O)NCC(F)(F)F)c1.
What is the InChIKey of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is UYOMUOSNJXGNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3/c1-9(2)21-14(25)22-11-5-3-4-10(6-11)13(24)19-7-12(23)20-8-15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H2,21,22,25).
What are the key properties of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 360.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55932655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).