N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide

C20H16ClF3N2O2 — CID 4842465

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(NCc1ccco1)c1ccccc1
InChIInChI=1S/C20H16ClF3N2O2/c21-14-8-9-17(16(11-14)20(22,23)24)26-19(27)18(13-5-2-1-3-6-13)25-12-15-7-4-10-28-15/h1-11,18,25H,12H2,(H,26,27)
InChIKeyAXUDJJORLXCAQP-UHFFFAOYSA-N
MW408.81 g/mol
LogP5.42
Rot. Bonds6

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide (PubChem CID 4842465) has the molecular formula C20H16ClF3N2O2 and a molecular weight of 408.81 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide
PubChem CID4842465
Molecular FormulaC20H16ClF3N2O2
Molecular Weight408.81 g/mol
Exact Mass408.09
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(NCc1ccco1)c1ccccc1
InChIInChI=1S/C20H16ClF3N2O2/c21-14-8-9-17(16(11-14)20(22,23)24)26-19(27)18(13-5-2-1-3-6-13)25-12-15-7-4-10-28-15/h1-11,18,25H,12H2,(H,26,27)
InChIKeyAXUDJJORLXCAQP-UHFFFAOYSA-N
XLogP5.42
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.81
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide 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

[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
CID 7874399
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]-2-phenylacetamide
CID 2562154
(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 2464532
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2358430
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclooctylamino)-2-phenylacetamide
CID 2440712
(2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide
CID 25351239
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 9357576
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 55459883
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
[(1S)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 2358089
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide (CID 4842465) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(NCc1ccco1)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide?
The InChIKey is AXUDJJORLXCAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O2/c21-14-8-9-17(16(11-14)20(22,23)24)26-19(27)18(13-5-2-1-3-6-13)25-12-15-7-4-10-28-15/h1-11,18,25H,12H2,(H,26,27).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide has a molecular weight of 408.81 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide is sourced from PubChem (CID 4842465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).