3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide

C20H16FN3O2 — CID 78905878

IUPAC3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2/c1-14-13-17(26-20-22-11-2-12-23-20)8-9-18(14)24-19(25)10-5-15-3-6-16(21)7-4-15/h2-13H,1H3,(H,24,25)
InChIKeyVJLBEMCVJVSKFU-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.37
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide

3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide (PubChem CID 78905878) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide
PubChem CID78905878
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2/c1-14-13-17(26-20-22-11-2-12-23-20)8-9-18(14)24-19(25)10-5-15-3-6-16(21)7-4-15/h2-13H,1H3,(H,24,25)
InChIKeyVJLBEMCVJVSKFU-UHFFFAOYSA-N
XLogP4.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.37
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

(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 47051327
(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
CID 75408108
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
methyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzoate
CID 36928861
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 60576782
1-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 119753507
2-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 48666589
(E)-N-[2-(4-fluoroanilino)-3-pyridinyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 155816048
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 166196615
N-(2-bromo-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76943432
2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide
CID 72684553

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide (CID 78905878) is 3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide is Cc1cc(Oc2ncccn2)ccc1NC(=O)C=Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide?
The InChIKey is VJLBEMCVJVSKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-14-13-17(26-20-22-11-2-12-23-20)8-9-18(14)24-19(25)10-5-15-3-6-16(21)7-4-15/h2-13H,1H3,(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide?
3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide has a molecular weight of 349.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 78905878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).