N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide

C18H17F3N2O3 — CID 112999420

IUPACN-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-5-4-6-14(11-13)23-17(25)12-22-16(24)9-10-26-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,22,24)(H,23,25)
InChIKeyQSTCCVLKGKEZKF-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.23
Rot. Bonds7

About N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide

N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide (PubChem CID 112999420) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide
PubChem CID112999420
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)13-5-4-6-14(11-13)23-17(25)12-22-16(24)9-10-26-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,22,24)(H,23,25)
InChIKeyQSTCCVLKGKEZKF-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 108795497
3-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844347
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide
CID 112988067
2-(4-heptoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54821633
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844584
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067
N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833824

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide (CID 112999420) is N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide?
The InChIKey is QSTCCVLKGKEZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)13-5-4-6-14(11-13)23-17(25)12-22-16(24)9-10-26-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide?
N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide has a molecular weight of 366.34 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 112999420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).