N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide

C20H24F3N3O2 — CID 58173013

IUPACN-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccccc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H24F3N3O2/c1-3-26(4-2)14-13-24-19(27)17-7-5-6-8-18(17)25-15-9-11-16(12-10-15)28-20(21,22)23/h5-12,25H,3-4,13-14H2,1-2H3,(H,24,27)
InChIKeyQOWOCAIBBUSUOK-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.40
Rot. Bonds9

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

N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide (PubChem CID 58173013) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide
PubChem CID58173013
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccccc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H24F3N3O2/c1-3-26(4-2)14-13-24-19(27)17-7-5-6-8-18(17)25-15-9-11-16(12-10-15)28-20(21,22)23/h5-12,25H,3-4,13-14H2,1-2H3,(H,24,27)
InChIKeyQOWOCAIBBUSUOK-UHFFFAOYSA-N
XLogP4.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 139470230
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
CID 119430354
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide
CID 163509812
2-fluoro-N-[3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propyl]benzamide
CID 47987463
N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride
CID 120604454
2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 162613166
N-[3-(diethylamino)propyl]-2-(propylamino)benzamide
CID 62165335
N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 29369017
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide (CID 58173013) is N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide is CCN(CC)CCNC(=O)c1ccccc1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide?
The InChIKey is QOWOCAIBBUSUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-3-26(4-2)14-13-24-19(27)17-7-5-6-8-18(17)25-15-9-11-16(12-10-15)28-20(21,22)23/h5-12,25H,3-4,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide?
N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide has a molecular weight of 395.43 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide is sourced from PubChem (CID 58173013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).