2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide

C19H16FN3O2 — CID 122261805

IUPAC2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C19H16FN3O2/c20-16-8-4-5-9-18(16)25-12-19(24)21-11-15-10-17(23-13-22-15)14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,21,24)
InChIKeyBNZPXXYDNNMPHU-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.98
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide

2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122261805) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
PubChem CID122261805
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C19H16FN3O2/c20-16-8-4-5-9-18(16)25-12-19(24)21-11-15-10-17(23-13-22-15)14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,21,24)
InChIKeyBNZPXXYDNNMPHU-UHFFFAOYSA-N
XLogP2.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122262058
2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
2-(2-methoxy-4-methylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261876
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 122262878
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(2-fluorophenoxy)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 110714661
2-benzylsulfanyl-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261968
1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262121

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide (CID 122261805) is 2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide is O=C(COc1ccccc1F)NCc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is BNZPXXYDNNMPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-16-8-4-5-9-18(16)25-12-19(24)21-11-15-10-17(23-13-22-15)14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,21,24).
What are the key properties of 2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 337.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122261805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).