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

C19H15F2N3O — CID 122262058

IUPAC2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C19H15F2N3O/c20-15-7-6-14(17(21)9-15)8-19(25)22-11-16-10-18(24-12-23-16)13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2,(H,22,25)
InChIKeyYFGDVUDTATWFBW-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.28
Rot. Bonds5

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

2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122262058) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
PubChem CID122262058
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C19H15F2N3O/c20-15-7-6-14(17(21)9-15)8-19(25)22-11-16-10-18(24-12-23-16)13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2,(H,22,25)
InChIKeyYFGDVUDTATWFBW-UHFFFAOYSA-N
XLogP3.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261805
2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
3-(2,4-difluorophenyl)-1-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]pyrazole-5-carboxamide
CID 122262091
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
CID 122261913
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262955
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
2-benzylsulfanyl-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261968
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide (CID 122262058) is 2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide is O=C(Cc1ccc(F)cc1F)NCc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is YFGDVUDTATWFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c20-15-7-6-14(17(21)9-15)8-19(25)22-11-16-10-18(24-12-23-16)13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2,(H,22,25).
What are the key properties of 2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122262058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).