(E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide

C11H10F3NO2 — CID 75480899

IUPAC(E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide
SMILESCON(C)C(=O)/C=C/c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3NO2/c1-15(17-2)10(16)4-3-7-5-8(12)11(14)9(13)6-7/h3-6H,1-2H3/b4-3+
InChIKeyCTFHSKGFBONUET-ONEGZZNKSA-N
MW245.20 g/mol
LogP2.14
Rot. Bonds3

About (E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide

(E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide (PubChem CID 75480899) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide
PubChem CID75480899
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide
SMILESCON(C)C(=O)/C=C/c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3NO2/c1-15(17-2)10(16)4-3-7-5-8(12)11(14)9(13)6-7/h3-6H,1-2H3/b4-3+
InChIKeyCTFHSKGFBONUET-ONEGZZNKSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
trifluoro-[4-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]phenyl]boranuide
CID 11850048
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 10609722
methyl 3-(4-chloro-3,5-difluorophenyl)prop-2-enoate
CID 169478853
(E)-3-(3,5-difluoro-4-methoxyphenyl)prop-2-enoic acid
CID 14049929
3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603198
N-methoxy-N-methyl-3-[4-(3-methylsulfanylphenyl)phenyl]prop-2-enamide
CID 131735932
(E)-N-methoxy-N-methyl-3-[3-(4-methylsulfanylphenyl)phenyl]prop-2-enamide
CID 118431943
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methoxy-N-methylprop-2-enamide
CID 47153642
(E)-1-(4-methylsulfanylphenyl)-3-(3,4,5-trifluorophenyl)prop-2-en-1-one
CID 19824628

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide (CID 75480899) is (E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide is CON(C)C(=O)/C=C/c1cc(F)c(F)c(F)c1.
What is the InChIKey of (E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide?
The InChIKey is CTFHSKGFBONUET-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-15(17-2)10(16)4-3-7-5-8(12)11(14)9(13)6-7/h3-6H,1-2H3/b4-3+.
What are the key properties of (E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide?
(E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide has a molecular weight of 245.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide is sourced from PubChem (CID 75480899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).