(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide

C11H12FNO2 — CID 97305733

IUPAC(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C\c1cccc(F)c1
InChIInChI=1S/C11H12FNO2/c1-13(15-2)11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,1-2H3/b7-6-
InChIKeyYVCGDBXJKGSSIQ-SREVYHEPSA-N
MW209.22 g/mol
LogP1.86
Rot. Bonds3

About (Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide

(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide (PubChem CID 97305733) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
PubChem CID97305733
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C\c1cccc(F)c1
InChIInChI=1S/C11H12FNO2/c1-13(15-2)11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,1-2H3/b7-6-
InChIKeyYVCGDBXJKGSSIQ-SREVYHEPSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide
CID 84554353
3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 10609722
3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]-methylamino]propanoic acid
CID 60989553
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303
(E)-N-methoxy-N-methyl-3-[3-(4-methylsulfanylphenyl)phenyl]prop-2-enamide
CID 118431943
(E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide
CID 75480899
3-(3-fluorophenyl)prop-2-enoate
CID 53448593
(E)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 96533240
(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
CID 56839366
(E)-3-(3-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide
CID 115759765
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 60830344
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide (CID 97305733) is (Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide is CON(C)C(=O)/C=C\c1cccc(F)c1.
What is the InChIKey of (Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide?
The InChIKey is YVCGDBXJKGSSIQ-SREVYHEPSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-13(15-2)11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,1-2H3/b7-6-.
What are the key properties of (Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide?
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide has a molecular weight of 209.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide is sourced from PubChem (CID 97305733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).