(E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide

C13H15F2NO3 — CID 78857424

IUPAC(E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide
SMILESCC(CO)NC(=O)/C=C/c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2NO3/c1-9(8-17)16-12(18)7-6-10-4-2-3-5-11(10)19-13(14)15/h2-7,9,13,17H,8H2,1H3,(H,16,18)/b7-6+
InChIKeyZPYZUURZMJGBLQ-VOTSOKGWSA-N
MW271.26 g/mol
LogP1.80
Rot. Bonds6

About (E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide

(E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide (PubChem CID 78857424) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is (E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide
PubChem CID78857424
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name(E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide
SMILESCC(CO)NC(=O)/C=C/c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2NO3/c1-9(8-17)16-12(18)7-6-10-4-2-3-5-11(10)19-13(14)15/h2-7,9,13,17H,8H2,1H3,(H,16,18)/b7-6+
InChIKeyZPYZUURZMJGBLQ-VOTSOKGWSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-tert-butyl-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 47137697
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
3-[2-(difluoromethoxy)phenyl]-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 111486475
ethyl 3-[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-3-phenylpropanoate
CID 60590322
(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 134036355
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014
(E)-3-[2-(difluoromethoxy)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 26130489
4-[[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 55591130
(Z)-3-[2-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]prop-2-enamide
CID 94636445
methyl 4-[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]butanoate
CID 43052706

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide (CID 78857424) is (E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide is CC(CO)NC(=O)/C=C/c1ccccc1OC(F)F.
What is the InChIKey of (E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The InChIKey is ZPYZUURZMJGBLQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-9(8-17)16-12(18)7-6-10-4-2-3-5-11(10)19-13(14)15/h2-7,9,13,17H,8H2,1H3,(H,16,18)/b7-6+.
What are the key properties of (E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide?
(E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide has a molecular weight of 271.26 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide is sourced from PubChem (CID 78857424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).