3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C22H25F6N3O — CID 143912635

IUPAC3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCN(CC)CCNc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H25F6N3O/c1-3-9-31(4-2)10-8-29-19-12-15(11-17(14-19)22(26,27)28)20(32)30-18-7-5-6-16(13-18)21(23,24)25/h5-7,11-14,29H,3-4,8-10H2,1-2H3,(H,30,32)
InChIKeyLVVMMQOTPMOJEY-UHFFFAOYSA-N
MW461.45 g/mol
LogP6.12
Rot. Bonds9

About 3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide

3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 143912635) has the molecular formula C22H25F6N3O and a molecular weight of 461.45 g/mol. Its IUPAC name is 3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID143912635
Molecular FormulaC22H25F6N3O
Molecular Weight461.45 g/mol
Exact Mass461.19
IUPAC Name3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCN(CC)CCNc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H25F6N3O/c1-3-9-31(4-2)10-8-29-19-12-15(11-17(14-19)22(26,27)28)20(32)30-18-7-5-6-16(13-18)21(23,24)25/h5-7,11-14,29H,3-4,8-10H2,1-2H3,(H,30,32)
InChIKeyLVVMMQOTPMOJEY-UHFFFAOYSA-N
XLogP6.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.45
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
3-[[2-(diethylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841572
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-propylamino]-N-propylacetamide
CID 87015064
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2-[2-hydroxyethyl(propyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881655
3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27152993
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 143912635) is 3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide is CCCN(CC)CCNc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is LVVMMQOTPMOJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F6N3O/c1-3-9-31(4-2)10-8-29-19-12-15(11-17(14-19)22(26,27)28)20(32)30-18-7-5-6-16(13-18)21(23,24)25/h5-7,11-14,29H,3-4,8-10H2,1-2H3,(H,30,32).
What are the key properties of 3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 461.45 g/mol, XLogP of 6.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 143912635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).