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

C19H21FN2O2 — CID 82152908

IUPAC(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESCC(C)Oc1ccc(/C=C\C(=O)NCc2ccc(F)cc2)cc1N
InChIInChI=1S/C19H21FN2O2/c1-13(2)24-18-9-5-14(11-17(18)21)6-10-19(23)22-12-15-3-7-16(20)8-4-15/h3-11,13H,12,21H2,1-2H3,(H,22,23)/b10-6-
InChIKeyDFTQOKWEKYFMBL-POHAHGRESA-N
MW328.39 g/mol
LogP3.52
Rot. Bonds6

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

(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide (PubChem CID 82152908) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
PubChem CID82152908
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESCC(C)Oc1ccc(/C=C\C(=O)NCc2ccc(F)cc2)cc1N
InChIInChI=1S/C19H21FN2O2/c1-13(2)24-18-9-5-14(11-17(18)21)6-10-19(23)22-12-15-3-7-16(20)8-4-15/h3-11,13H,12,21H2,1-2H3,(H,22,23)/b10-6-
InChIKeyDFTQOKWEKYFMBL-POHAHGRESA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.52
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-(4-fluorophenyl)prop-2-enamide
CID 94760334
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide
CID 82152897
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 82152915
(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 99996359
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 43911045
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 82153807
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 82153802
(E)-3-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 30384892
(E)-3-(3-amino-4-methylphenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 39380497
N-[(2-methoxyphenyl)methyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 74509472

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide (CID 82152908) is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide is CC(C)Oc1ccc(/C=C\C(=O)NCc2ccc(F)cc2)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The InChIKey is DFTQOKWEKYFMBL-POHAHGRESA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13(2)24-18-9-5-14(11-17(18)21)6-10-19(23)22-12-15-3-7-16(20)8-4-15/h3-11,13H,12,21H2,1-2H3,(H,22,23)/b10-6-.
What are the key properties of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide has a molecular weight of 328.39 g/mol, XLogP of 3.52, 6 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)methyl]prop-2-enamide is sourced from PubChem (CID 82152908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).