N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide

C18H16ClF3N2O2 — CID 113061512

IUPACN-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N2O2/c1-12(25)24(16-8-4-14(5-9-16)18(20,21)22)11-10-23-17(26)13-2-6-15(19)7-3-13/h2-9H,10-11H2,1H3,(H,23,26)
InChIKeyDACRAIXUIGBSQI-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.14
Rot. Bonds5

About N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide

N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide (PubChem CID 113061512) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
PubChem CID113061512
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC NameN-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N2O2/c1-12(25)24(16-8-4-14(5-9-16)18(20,21)22)11-10-23-17(26)13-2-6-15(19)7-3-13/h2-9H,10-11H2,1H3,(H,23,26)
InChIKeyDACRAIXUIGBSQI-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
CID 113058431
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
tert-butyl N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061526
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide
CID 113061451
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
CID 113061521
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide (CID 113061512) is N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide is CC(=O)N(CCNC(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide?
The InChIKey is DACRAIXUIGBSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-12(25)24(16-8-4-14(5-9-16)18(20,21)22)11-10-23-17(26)13-2-6-15(19)7-3-13/h2-9H,10-11H2,1H3,(H,23,26).
What are the key properties of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide?
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide has a molecular weight of 384.79 g/mol, XLogP of 4.14, 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-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide is sourced from PubChem (CID 113061512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).