N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide

C19H16FN3O2 — CID 87050774

IUPACN-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C19H16FN3O2/c1-25-17-5-3-2-4-14(17)10-18(24)23-16-11-21-19(22-12-16)13-6-8-15(20)9-7-13/h2-9,11-12H,10H2,1H3,(H,23,24)
InChIKeyRREQNFJUPNSSJT-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.47
Rot. Bonds5

About N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide

N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide (PubChem CID 87050774) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide
PubChem CID87050774
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C19H16FN3O2/c1-25-17-5-3-2-4-14(17)10-18(24)23-16-11-21-19(22-12-16)13-6-8-15(20)9-7-13/h2-9,11-12H,10H2,1H3,(H,23,24)
InChIKeyRREQNFJUPNSSJT-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide (CID 87050774) is N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1cnc(-c2ccc(F)cc2)nc1.
What is the InChIKey of N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is RREQNFJUPNSSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-25-17-5-3-2-4-14(17)10-18(24)23-16-11-21-19(22-12-16)13-6-8-15(20)9-7-13/h2-9,11-12H,10H2,1H3,(H,23,24).
What are the key properties of N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide?
N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 337.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)pyrimidin-5-yl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 87050774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).