N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide

C16H15F3N2O3 — CID 113061369

IUPACN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1ccco1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-11(22)21(9-8-20-15(23)14-7-4-10-24-14)13-6-3-2-5-12(13)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyDLOLFCNCVCDHKX-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.08
Rot. Bonds5

About N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide

N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide (PubChem CID 113061369) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
PubChem CID113061369
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1ccco1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-11(22)21(9-8-20-15(23)14-7-4-10-24-14)13-6-3-2-5-12(13)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyDLOLFCNCVCDHKX-UHFFFAOYSA-N
XLogP3.08
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-methoxyanilino)ethyl]furan-2-carboxamide
CID 113060433
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide
CID 113061372
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide
CID 113060744
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide
CID 113061378
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061363
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
CID 113062542
N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 113057415
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide
CID 113061366
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide
CID 113061085
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113130349
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 113130337

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide (CID 113061369) is N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide is CC(=O)N(CCNC(=O)c1ccco1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide?
The InChIKey is DLOLFCNCVCDHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-11(22)21(9-8-20-15(23)14-7-4-10-24-14)13-6-3-2-5-12(13)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,23).
What are the key properties of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide?
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 113061369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).