(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide

C18H19FN2O2 — CID 39456289

IUPAC(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccccc1NC(=O)/C=C/c1ccc(F)c(N)c1
InChIInChI=1S/C18H19FN2O2/c1-12(2)23-17-6-4-3-5-16(17)21-18(22)10-8-13-7-9-14(19)15(20)11-13/h3-12H,20H2,1-2H3,(H,21,22)/b10-8+
InChIKeyOXMAPYXIULXKOB-CSKARUKUSA-N
MW314.36 g/mol
LogP3.85
Rot. Bonds5

About (E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide

(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 39456289) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID39456289
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccccc1NC(=O)/C=C/c1ccc(F)c(N)c1
InChIInChI=1S/C18H19FN2O2/c1-12(2)23-17-6-4-3-5-16(17)21-18(22)10-8-13-7-9-14(19)15(20)11-13/h3-12H,20H2,1-2H3,(H,21,22)/b10-8+
InChIKeyOXMAPYXIULXKOB-CSKARUKUSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxyphenyl)prop-2-enamide
CID 39387255
(E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39456290
(E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39498979
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 94760334
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39498249
N-(2-acetylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 75981698
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 39423073
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
(E)-N-(2-formylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 89064888
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 82153802
(E)-N-(2-fluoro-4-methylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 26699608

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide (CID 39456289) is (E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide is CC(C)Oc1ccccc1NC(=O)/C=C/c1ccc(F)c(N)c1.
What is the InChIKey of (E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is OXMAPYXIULXKOB-CSKARUKUSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12(2)23-17-6-4-3-5-16(17)21-18(22)10-8-13-7-9-14(19)15(20)11-13/h3-12H,20H2,1-2H3,(H,21,22)/b10-8+.
What are the key properties of (E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 314.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 39456289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).