N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide

C18H16F4N2O2 — CID 113059333

IUPACN-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H16F4N2O2/c1-12(25)24(16-8-6-15(19)7-9-16)11-10-23-17(26)13-2-4-14(5-3-13)18(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)
InChIKeyHDPCZIWLXJLTHJ-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.63
Rot. Bonds5

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

N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 113059333) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID113059333
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC NameN-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H16F4N2O2/c1-12(25)24(16-8-6-15(19)7-9-16)11-10-23-17(26)13-2-4-14(5-3-13)18(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)
InChIKeyHDPCZIWLXJLTHJ-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
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-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055767
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
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-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
CID 113059285
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061483

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide (CID 113059333) is N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide is CC(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HDPCZIWLXJLTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c1-12(25)24(16-8-6-15(19)7-9-16)11-10-23-17(26)13-2-4-14(5-3-13)18(20,21)22/h2-9H,10-11H2,1H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 368.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113059333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).