4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide

C13H17F3N2O — CID 62171618

IUPAC4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1ccc(NCC)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-7-18-12(19)9-5-6-11(17-4-2)10(8-9)13(14,15)16/h5-6,8,17H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyFFXREWOJDUYFCK-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.28
Rot. Bonds5

About 4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide

4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide (PubChem CID 62171618) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
PubChem CID62171618
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1ccc(NCC)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-7-18-12(19)9-5-6-11(17-4-2)10(8-9)13(14,15)16/h5-6,8,17H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyFFXREWOJDUYFCK-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide
CID 62186743
N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
CID 55042364
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 62234841
4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 62409438
4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 166428252
N-cyclopropyl-4-(ethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 62167915
N-(1-cyclopropylethyl)-4-(ethylamino)-3-(trifluoromethyl)benzamide
CID 62168331
4-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 62186065
N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664
4-(methylamino)-N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)benzamide
CID 63964007
3-tert-butyl-4-methoxy-N-propylbenzamide
CID 110761278

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide (CID 62171618) is 4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide is CCCNC(=O)c1ccc(NCC)c(C(F)(F)F)c1.
What is the InChIKey of 4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide?
The InChIKey is FFXREWOJDUYFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-7-18-12(19)9-5-6-11(17-4-2)10(8-9)13(14,15)16/h5-6,8,17H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide?
4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide has a molecular weight of 274.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62171618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).