3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C15H17F3N4O3 — CID 18144699

IUPAC3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCC(F)(F)F)c1)NC(=O)NC1CC1
InChIInChI=1S/C15H17F3N4O3/c16-15(17,18)8-20-13(24)9-2-1-3-11(6-9)19-7-12(23)22-14(25)21-10-4-5-10/h1-3,6,10,19H,4-5,7-8H2,(H,20,24)(H2,21,22,23,25)
InChIKeyXMUGLAOJPUNVBG-UHFFFAOYSA-N
MW358.32 g/mol
LogP1.38
Rot. Bonds6

About 3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 18144699) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is 3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID18144699
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC Name3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCC(F)(F)F)c1)NC(=O)NC1CC1
InChIInChI=1S/C15H17F3N4O3/c16-15(17,18)8-20-13(24)9-2-1-3-11(6-9)19-7-12(23)22-14(25)21-10-4-5-10/h1-3,6,10,19H,4-5,7-8H2,(H,20,24)(H2,21,22,23,25)
InChIKeyXMUGLAOJPUNVBG-UHFFFAOYSA-N
XLogP1.38
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 18144697
1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide
CID 18140060
N-(cyclopropylcarbamoyl)-2-[3-(diethylsulfamoyl)anilino]acetamide
CID 18096540
3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60527760
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 162568619
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
methyl 3-[[2-(cyclopentylamino)-2-oxoethyl]amino]benzoate
CID 108993498
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
2-(3-cyclopentyloxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37231584

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 18144699) is 3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(CNc1cccc(C(=O)NCC(F)(F)F)c1)NC(=O)NC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XMUGLAOJPUNVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3/c16-15(17,18)8-20-13(24)9-2-1-3-11(6-9)19-7-12(23)22-14(25)21-10-4-5-10/h1-3,6,10,19H,4-5,7-8H2,(H,20,24)(H2,21,22,23,25).
What are the key properties of 3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 358.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 18144699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).