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

C18H19FN2O2 — CID 94760334

IUPAC(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
SMILESCC(C)Oc1ccc(/C=C\C(=O)Nc2ccc(F)cc2)cc1N
InChIInChI=1S/C18H19FN2O2/c1-12(2)23-17-9-3-13(11-16(17)20)4-10-18(22)21-15-7-5-14(19)6-8-15/h3-12H,20H2,1-2H3,(H,21,22)/b10-4-
InChIKeyPNCQOPTVTJKUFN-WMZJFQQLSA-N
MW314.36 g/mol
LogP3.85
Rot. Bonds5

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

(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide (PubChem CID 94760334) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
PubChem CID94760334
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
SMILESCC(C)Oc1ccc(/C=C\C(=O)Nc2ccc(F)cc2)cc1N
InChIInChI=1S/C18H19FN2O2/c1-12(2)23-17-9-3-13(11-16(17)20)4-10-18(22)21-15-7-5-14(19)6-8-15/h3-12H,20H2,1-2H3,(H,21,22)/b10-4-
InChIKeyPNCQOPTVTJKUFN-WMZJFQQLSA-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

(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
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 82152908
(E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39456290
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 2666277
(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39456289
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 82153807
4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzamide
CID 8885040
(E)-3-(3-bromo-4-methoxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 1183429
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 8744762
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 94760339
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide
CID 82152897

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide (CID 94760334) is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide is CC(C)Oc1ccc(/C=C\C(=O)Nc2ccc(F)cc2)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide?
The InChIKey is PNCQOPTVTJKUFN-WMZJFQQLSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12(2)23-17-9-3-13(11-16(17)20)4-10-18(22)21-15-7-5-14(19)6-8-15/h3-12H,20H2,1-2H3,(H,21,22)/b10-4-.
What are the key properties of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide?
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)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 (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 94760334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).