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

C18H19FN2O2 — CID 39456290

IUPAC(E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccc(NC(=O)/C=C/c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C18H19FN2O2/c1-12(2)23-15-7-5-14(6-8-15)21-18(22)10-4-13-3-9-16(19)17(20)11-13/h3-12H,20H2,1-2H3,(H,21,22)/b10-4+
InChIKeyVRKKLCPZYRIQQO-ONNFQVAWSA-N
MW314.36 g/mol
LogP3.85
Rot. Bonds5

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

(E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 39456290) 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-(4-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID39456290
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccc(NC(=O)/C=C/c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C18H19FN2O2/c1-12(2)23-15-7-5-14(6-8-15)21-18(22)10-4-13-3-9-16(19)17(20)11-13/h3-12H,20H2,1-2H3,(H,21,22)/b10-4+
InChIKeyVRKKLCPZYRIQQO-ONNFQVAWSA-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-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39406540
(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 39423072
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 94760334
(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39456289
N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide
CID 110300756
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 82153796
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 82153802
(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide
CID 39239019
3-(4-hexoxy-3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 2791081
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
N,3-bis(3,4-difluorophenyl)prop-2-enamide
CID 71420101

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide (CID 39456290) is (E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide is CC(C)Oc1ccc(NC(=O)/C=C/c2ccc(F)c(N)c2)cc1.
What is the InChIKey of (E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is VRKKLCPZYRIQQO-ONNFQVAWSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12(2)23-15-7-5-14(6-8-15)21-18(22)10-4-13-3-9-16(19)17(20)11-13/h3-12H,20H2,1-2H3,(H,21,22)/b10-4+.
What are the key properties of (E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide?
(E)-3-(3-amino-4-fluorophenyl)-N-(4-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-(4-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 39456290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).