N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide

C19H18F3NO2 — CID 166414412

IUPACN-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)CC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c1-2-18(25)23(12-14-8-4-3-5-9-14)13-17(24)15-10-6-7-11-16(15)19(20,21)22/h2-11,17,24H,1,12-13H2
InChIKeyJKJVTKKMURWWQK-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.95
Rot. Bonds6

About N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide

N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide (PubChem CID 166414412) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
PubChem CID166414412
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC NameN-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)CC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c1-2-18(25)23(12-14-8-4-3-5-9-14)13-17(24)15-10-6-7-11-16(15)19(20,21)22/h2-11,17,24H,1,12-13H2
InChIKeyJKJVTKKMURWWQK-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-1-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-pyridin-2-ylurea
CID 75526416
1-benzyl-1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 97352620
N-benzyl-N-[2-[benzyl(buta-1,3-dien-2-yl)amino]ethyl]prop-2-enamide
CID 135129741
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-benzyl-N-(cyanomethyl)prop-2-enamide
CID 61042063
(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94190174
N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide
CID 146095242
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The IUPAC name of N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide (CID 166414412) is N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide is C=CC(=O)N(Cc1ccccc1)CC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The InChIKey is JKJVTKKMURWWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-2-18(25)23(12-14-8-4-3-5-9-14)13-17(24)15-10-6-7-11-16(15)19(20,21)22/h2-11,17,24H,1,12-13H2.
What are the key properties of N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide has a molecular weight of 349.35 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 166414412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).