2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide

C14H14F4N2O4 — CID 134045681

IUPAC2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide
SMILESCC(NC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F)C(N)=O
InChIInChI=1S/C14H14F4N2O4/c1-7(12(19)22)20-11(21)5-3-8-2-4-9(23-13(15)16)6-10(8)24-14(17)18/h2-7,13-14H,1H3,(H2,19,22)(H,20,21)/b5-3+
InChIKeyHEJSKOQXHJDNIH-HWKANZROSA-N
MW350.27 g/mol
LogP1.89
Rot. Bonds8

About 2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide

2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide (PubChem CID 134045681) has the molecular formula C14H14F4N2O4 and a molecular weight of 350.27 g/mol. Its IUPAC name is 2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound Name2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide
PubChem CID134045681
Molecular FormulaC14H14F4N2O4
Molecular Weight350.27 g/mol
Exact Mass350.09
IUPAC Name2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide
SMILESCC(NC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F)C(N)=O
InChIInChI=1S/C14H14F4N2O4/c1-7(12(19)22)20-11(21)5-3-8-2-4-9(23-13(15)16)6-10(8)24-14(17)18/h2-7,13-14H,1H3,(H2,19,22)(H,20,21)/b5-3+
InChIKeyHEJSKOQXHJDNIH-HWKANZROSA-N
XLogP1.89
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 8571908
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 134030701
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480899
3-[2,4-bis(difluoromethoxy)phenyl]-N-[1-(3-nitrophenyl)ethyl]prop-2-enamide
CID 55876329
2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
CID 43402355
(2R)-2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92920815
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 82043566
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 30847487
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[cyano-(2-fluorophenyl)methyl]prop-2-enamide
CID 56572122
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9105021
N'-[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]-4-bromo-1-methylpyrrole-2-carbohydrazide
CID 27037215
2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide
CID 78773077

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide?
The IUPAC name of 2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide (CID 134045681) is 2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide.
What is the SMILES notation for 2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide?
The canonical SMILES for 2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide is CC(NC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F)C(N)=O.
What is the InChIKey of 2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide?
The InChIKey is HEJSKOQXHJDNIH-HWKANZROSA-N. The full InChI is InChI=1S/C14H14F4N2O4/c1-7(12(19)22)20-11(21)5-3-8-2-4-9(23-13(15)16)6-10(8)24-14(17)18/h2-7,13-14H,1H3,(H2,19,22)(H,20,21)/b5-3+.
What are the key properties of 2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide?
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide has a molecular weight of 350.27 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 134045681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).