N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide

C21H20F3N3O3 — CID 60516710

IUPACN-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)C2CC2c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-14(17)15-9-16(15)20(30)26-10-12-5-7-13(8-6-12)19(29)27-11-18(25)28/h1-8,15-16H,9-11H2,(H2,25,28)(H,26,30)(H,27,29)
InChIKeyJHWLRMOXTSJBTD-UHFFFAOYSA-N
MW419.40 g/mol
LogP2.34
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide

N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide (PubChem CID 60516710) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide
PubChem CID60516710
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)C2CC2c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-14(17)15-9-16(15)20(30)26-10-12-5-7-13(8-6-12)19(29)27-11-18(25)28/h1-8,15-16H,9-11H2,(H2,25,28)(H,26,30)(H,27,29)
InChIKeyJHWLRMOXTSJBTD-UHFFFAOYSA-N
XLogP2.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide (CID 60516710) is N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide is NC(=O)CNC(=O)c1ccc(CNC(=O)C2CC2c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide?
The InChIKey is JHWLRMOXTSJBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-14(17)15-9-16(15)20(30)26-10-12-5-7-13(8-6-12)19(29)27-11-18(25)28/h1-8,15-16H,9-11H2,(H2,25,28)(H,26,30)(H,27,29).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide has a molecular weight of 419.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide is sourced from PubChem (CID 60516710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).