ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate

C18H17F3N2O3 — CID 4013738

IUPACethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate
SMILESCCOC(=O)NC(Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1
InChIInChI=1S/C18H17F3N2O3/c1-2-26-17(25)23-16(15(24)12-7-4-3-5-8-12)22-14-10-6-9-13(11-14)18(19,20)21/h3-11,16,22H,2H2,1H3,(H,23,25)
InChIKeyBGVLWBSWEZWZDK-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.07
Rot. Bonds6

About ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate

ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate (PubChem CID 4013738) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate
PubChem CID4013738
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Nameethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate
SMILESCCOC(=O)NC(Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1
InChIInChI=1S/C18H17F3N2O3/c1-2-26-17(25)23-16(15(24)12-7-4-3-5-8-12)22-14-10-6-9-13(11-14)18(19,20)21/h3-11,16,22H,2H2,1H3,(H,23,25)
InChIKeyBGVLWBSWEZWZDK-UHFFFAOYSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 1271854
ethyl N-[(1S)-1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]carbamate
CID 35580456
ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate
CID 60542528
N-[(1S)-2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl]propanamide
CID 1099747
methyl (2S)-3-phenyl-2-[3-(trifluoromethyl)anilino]propanoate
CID 162417638
ethyl 3-amino-3-[3-(trifluoromethyl)anilino]prop-2-enoate
CID 2774309
ethyl N-[2-(ethoxycarbonylcarbamoyl)-3-[3-(trifluoromethyl)anilino]prop-2-enoyl]carbamate
CID 45034304
N-[(2S,3S)-3-methyl-1-oxo-1-[3-(trifluoromethyl)anilino]pentan-2-yl]benzamide
CID 9138725
(2S)-2-[3-(trifluoromethyl)anilino]pentanamide
CID 91617003
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate (CID 4013738) is ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate is CCOC(=O)NC(Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1.
What is the InChIKey of ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate?
The InChIKey is BGVLWBSWEZWZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-2-26-17(25)23-16(15(24)12-7-4-3-5-8-12)22-14-10-6-9-13(11-14)18(19,20)21/h3-11,16,22H,2H2,1H3,(H,23,25).
What are the key properties of ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate?
ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate has a molecular weight of 366.34 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]carbamate is sourced from PubChem (CID 4013738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).