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

C19H20F3N3O2 — CID 54838617

IUPAC3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-2-9-23-18(27)13-5-3-7-15(10-13)24-12-17(26)25-16-8-4-6-14(11-16)19(20,21)22/h3-8,10-11,24H,2,9,12H2,1H3,(H,23,27)(H,25,26)
InChIKeyFUHSJPUDAIBOMT-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.90
Rot. Bonds7

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

3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide (PubChem CID 54838617) 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-propylbenzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
PubChem CID54838617
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-2-9-23-18(27)13-5-3-7-15(10-13)24-12-17(26)25-16-8-4-6-14(11-16)19(20,21)22/h3-8,10-11,24H,2,9,12H2,1H3,(H,23,27)(H,25,26)
InChIKeyFUHSJPUDAIBOMT-UHFFFAOYSA-N
XLogP3.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844325
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811111
N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833684
N-(furan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833538

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide (CID 54838617) is 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide is CCCNC(=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-propylbenzamide?
The InChIKey is FUHSJPUDAIBOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-2-9-23-18(27)13-5-3-7-15(10-13)24-12-17(26)25-16-8-4-6-14(11-16)19(20,21)22/h3-8,10-11,24H,2,9,12H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide?
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide has a molecular weight of 379.38 g/mol, XLogP of 3.90, 7 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-propylbenzamide is sourced from PubChem (CID 54838617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).