(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide

C10H11FN2O — CID 39239019

IUPAC(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(F)c(N)c1
InChIInChI=1S/C10H11FN2O/c1-13-10(14)5-3-7-2-4-8(11)9(12)6-7/h2-6H,12H2,1H3,(H,13,14)/b5-3+
InChIKeyBEZBLZBGOGMRDC-HWKANZROSA-N
MW194.21 g/mol
LogP1.17
Rot. Bonds2

About (E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide

(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide (PubChem CID 39239019) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is (E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide
PubChem CID39239019
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(F)c(N)c1
InChIInChI=1S/C10H11FN2O/c1-13-10(14)5-3-7-2-4-8(11)9(12)6-7/h2-6H,12H2,1H3,(H,13,14)/b5-3+
InChIKeyBEZBLZBGOGMRDC-HWKANZROSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-amino-4-fluorophenyl)-N-propylprop-2-enamide
CID 39245266
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
(E)-3-(3-amino-4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 39244291
(E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
CID 14989749
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39387255
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531
(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 39423072
(E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39456290
(E)-3-(3-amino-4-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 39384361
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
(E)-3-(3-amino-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 39419234
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 39423073

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide (CID 39239019) is (E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1ccc(F)c(N)c1.
What is the InChIKey of (E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide?
The InChIKey is BEZBLZBGOGMRDC-HWKANZROSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-13-10(14)5-3-7-2-4-8(11)9(12)6-7/h2-6H,12H2,1H3,(H,13,14)/b5-3+.
What are the key properties of (E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide?
(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide has a molecular weight of 194.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 39239019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).