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

C15H21F3N2O — CID 62186743

IUPAC4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide
SMILESCCCCCNC(=O)c1ccc(NCC)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-3-5-6-9-20-14(21)11-7-8-13(19-4-2)12(10-11)15(16,17)18/h7-8,10,19H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyWDKUGOQRKJBOHY-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.06
Rot. Bonds7

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

4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide (PubChem CID 62186743) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide
PubChem CID62186743
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide
SMILESCCCCCNC(=O)c1ccc(NCC)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-3-5-6-9-20-14(21)11-7-8-13(19-4-2)12(10-11)15(16,17)18/h7-8,10,19H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyWDKUGOQRKJBOHY-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
CID 62171618
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 62234841
N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
CID 55042364
4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 62409438
4-(methylamino)-N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)benzamide
CID 63964007
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 166428252
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
N-cyclopropyl-4-(ethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 62167915
N-(1-cyclopropylethyl)-4-(ethylamino)-3-(trifluoromethyl)benzamide
CID 62168331
4-tert-butyl-N-nonylbenzamide
CID 4642451
4-bromo-N-(4-bromobutyl)-3-(trifluoromethyl)benzamide
CID 106845802

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide (CID 62186743) is 4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide is CCCCCNC(=O)c1ccc(NCC)c(C(F)(F)F)c1.
What is the InChIKey of 4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide?
The InChIKey is WDKUGOQRKJBOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-5-6-9-20-14(21)11-7-8-13(19-4-2)12(10-11)15(16,17)18/h7-8,10,19H,3-6,9H2,1-2H3,(H,20,21).
What are the key properties of 4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide?
4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide has a molecular weight of 302.34 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62186743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).