N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide

C14H19F3N2O — CID 3327071

IUPACN-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-3-19(4-2)10-9-18-13(20)11-5-7-12(8-6-11)14(15,16)17/h5-8H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyBBOSOJWGIQJOFE-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 3327071) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID3327071
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-3-19(4-2)10-9-18-13(20)11-5-7-12(8-6-11)14(15,16)17/h5-8H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyBBOSOJWGIQJOFE-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 3691485
N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide
CID 107019684
N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55486323
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-4-[2-(methylamino)ethyl]benzamide
CID 10564500
N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 4535202
N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 162537189
N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113068329

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide (CID 3327071) is N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide is CCN(CC)CCNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BBOSOJWGIQJOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-19(4-2)10-9-18-13(20)11-5-7-12(8-6-11)14(15,16)17/h5-8H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 288.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 3327071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).