prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate

C14H15F3N2O3 — CID 108573667

IUPACprop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O3/c1-2-9-22-13(21)19-8-7-18-12(20)10-5-3-4-6-11(10)14(15,16)17/h2-6H,1,7-9H2,(H,18,20)(H,19,21)
InChIKeyOBIHSMOYNCDTSB-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.35
Rot. Bonds6

About prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate

prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate (PubChem CID 108573667) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
PubChem CID108573667
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Nameprop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O3/c1-2-9-22-13(21)19-8-7-18-12(20)10-5-3-4-6-11(10)14(15,16)17/h2-6H,1,7-9H2,(H,18,20)(H,19,21)
InChIKeyOBIHSMOYNCDTSB-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 108571704
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 108573647
prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 108574875
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
CID 108566004

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate (CID 108573667) is prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate is C=CCOC(=O)NCCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate?
The InChIKey is OBIHSMOYNCDTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-2-9-22-13(21)19-8-7-18-12(20)10-5-3-4-6-11(10)14(15,16)17/h2-6H,1,7-9H2,(H,18,20)(H,19,21).
What are the key properties of prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate?
prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate has a molecular weight of 316.28 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate is sourced from PubChem (CID 108573667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).