3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide

C19H20F3N3O2 — CID 54833466

IUPAC3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-12(2)24-18(27)13-5-3-7-15(9-13)23-11-17(26)25-16-8-4-6-14(10-16)19(20,21)22/h3-10,12,23H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeySMDJUSQJVHFLSG-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.89
Rot. Bonds6

About 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide

3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54833466) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54833466
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-12(2)24-18(27)13-5-3-7-15(9-13)23-11-17(26)25-16-8-4-6-14(10-16)19(20,21)22/h3-10,12,23H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeySMDJUSQJVHFLSG-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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Related Compounds

3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844325
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
3-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54833107
3-[[2-[4-(3-methylbutanoylamino)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54832794
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54813153
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide (CID 54833466) is 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is SMDJUSQJVHFLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-12(2)24-18(27)13-5-3-7-15(9-13)23-11-17(26)25-16-8-4-6-14(10-16)19(20,21)22/h3-10,12,23H,11H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide?
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide 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-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54833466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).