(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide

C19H13F2N3O2 — CID 122303106

IUPAC(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C19H13F2N3O2/c20-15-6-2-1-5-13(15)9-10-18(25)24-14-11-22-19(23-12-14)26-17-8-4-3-7-16(17)21/h1-12H,(H,24,25)/b10-9+
InChIKeyKDMQMXNJAXYTQV-MDZDMXLPSA-N
MW353.33 g/mol
LogP4.20
Rot. Bonds5

About (E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide

(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 122303106) has the molecular formula C19H13F2N3O2 and a molecular weight of 353.33 g/mol. Its IUPAC name is (E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide
PubChem CID122303106
Molecular FormulaC19H13F2N3O2
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C19H13F2N3O2/c20-15-6-2-1-5-13(15)9-10-18(25)24-14-11-22-19(23-12-14)26-17-8-4-3-7-16(17)21/h1-12H,(H,24,25)/b10-9+
InChIKeyKDMQMXNJAXYTQV-MDZDMXLPSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
(E)-3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]prop-2-enamide
CID 122299224
(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 7914871
1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122302932
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 122302992
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
CID 91968386
(E)-3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]prop-2-enamide
CID 122303350
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
1-(4-tert-butylphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303193
1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 71799863

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide (CID 122303106) is (E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1F)Nc1cnc(Oc2ccccc2F)nc1.
What is the InChIKey of (E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is KDMQMXNJAXYTQV-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H13F2N3O2/c20-15-6-2-1-5-13(15)9-10-18(25)24-14-11-22-19(23-12-14)26-17-8-4-3-7-16(17)21/h1-12H,(H,24,25)/b10-9+.
What are the key properties of (E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 353.33 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 122303106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).