ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate

C14H17F3N2O3 — CID 113061465

IUPACethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3/c1-3-22-13(21)18-7-8-19(10(2)20)12-6-4-5-11(9-12)14(15,16)17/h4-6,9H,3,7-8H2,1-2H3,(H,18,21)
InChIKeyJTCJOCNYWMUQSA-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.80
Rot. Bonds5

About ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate

ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate (PubChem CID 113061465) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
PubChem CID113061465
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Nameethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3/c1-3-22-13(21)18-7-8-19(10(2)20)12-6-4-5-11(9-12)14(15,16)17/h4-6,9H,3,7-8H2,1-2H3,(H,18,21)
InChIKeyJTCJOCNYWMUQSA-UHFFFAOYSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate 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-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113061471
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113061457
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide
CID 113061451
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
CID 113061447
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate
CID 113061688
methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
CID 113057469
ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate
CID 113062992
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130407
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide
CID 113130495

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate (CID 113061465) is ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate is CCOC(=O)NCCN(C(C)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate?
The InChIKey is JTCJOCNYWMUQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-3-22-13(21)18-7-8-19(10(2)20)12-6-4-5-11(9-12)14(15,16)17/h4-6,9H,3,7-8H2,1-2H3,(H,18,21).
What are the key properties of ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate?
ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate has a molecular weight of 318.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate is sourced from PubChem (CID 113061465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).