N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide

C20H19F3N2O3 — CID 113061679

IUPACN-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)c1ccc(N(CCNC(=O)c2ccc(C(F)(F)F)cc2)C(C)=O)cc1
InChIInChI=1S/C20H19F3N2O3/c1-13(26)15-5-9-18(10-6-15)25(14(2)27)12-11-24-19(28)16-3-7-17(8-4-16)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28)
InChIKeyDUYJTXRWFHHHEZ-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.69
Rot. Bonds6

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

N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 113061679) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID113061679
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)c1ccc(N(CCNC(=O)c2ccc(C(F)(F)F)cc2)C(C)=O)cc1
InChIInChI=1S/C20H19F3N2O3/c1-13(26)15-5-9-18(10-6-15)25(14(2)27)12-11-24-19(28)16-3-7-17(8-4-16)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28)
InChIKeyDUYJTXRWFHHHEZ-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[2-(N,4-diacetylanilino)ethyl]acetamide
CID 113061629
tert-butyl N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061526
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
CID 113061521
N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113061531
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061483
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028
N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113060962

Frequently Asked Questions

What is the IUPAC name of N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide (CID 113061679) is N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide is CC(=O)c1ccc(N(CCNC(=O)c2ccc(C(F)(F)F)cc2)C(C)=O)cc1.
What is the InChIKey of N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is DUYJTXRWFHHHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-13(26)15-5-9-18(10-6-15)25(14(2)27)12-11-24-19(28)16-3-7-17(8-4-16)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113061679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).