3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C19H20F3N3O2 — CID 17446182

IUPAC3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-12(2)23-11-17(26)24-15-7-3-5-13(9-15)18(27)25-16-8-4-6-14(10-16)19(20,21)22/h3-10,12,23H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXOTCFNLRPYREDP-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.89
Rot. Bonds6

About 3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 17446182) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID17446182
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-12(2)23-11-17(26)24-15-7-3-5-13(9-15)18(27)25-16-8-4-6-14(10-16)19(20,21)22/h3-10,12,23H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXOTCFNLRPYREDP-UHFFFAOYSA-N
XLogP3.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 17446182) is 3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CC(C)NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XOTCFNLRPYREDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-12(2)23-11-17(26)24-15-7-3-5-13(9-15)18(27)25-16-8-4-6-14(10-16)19(20,21)22/h3-10,12,23H,11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 379.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propan-2-ylamino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 17446182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).