N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide

C20H19F2N3O2 — CID 16668733

IUPACN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NC(c1ccc(F)c(F)c1)c1nccn1C)c1ccccc1
InChIInChI=1S/C20H19F2N3O2/c1-25-11-10-23-19(25)17(14-8-9-15(21)16(22)12-14)24-20(26)18(27-2)13-6-4-3-5-7-13/h3-12,17-18H,1-2H3,(H,24,26)
InChIKeyZINOMXNHMLBXMR-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.29
Rot. Bonds6

About N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide

N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide (PubChem CID 16668733) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
PubChem CID16668733
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC NameN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NC(c1ccc(F)c(F)c1)c1nccn1C)c1ccccc1
InChIInChI=1S/C20H19F2N3O2/c1-25-11-10-23-19(25)17(14-8-9-15(21)16(22)12-14)24-20(26)18(27-2)13-6-4-3-5-7-13/h3-12,17-18H,1-2H3,(H,24,26)
InChIKeyZINOMXNHMLBXMR-UHFFFAOYSA-N
XLogP3.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide (CID 16668733) is N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide is COC(C(=O)NC(c1ccc(F)c(F)c1)c1nccn1C)c1ccccc1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The InChIKey is ZINOMXNHMLBXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-25-11-10-23-19(25)17(14-8-9-15(21)16(22)12-14)24-20(26)18(27-2)13-6-4-3-5-7-13/h3-12,17-18H,1-2H3,(H,24,26).
What are the key properties of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide?
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide has a molecular weight of 371.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 16668733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).