N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide

C20H19F2N3O2 — CID 16675059

IUPACN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC(c2ccc(F)c(F)c2)c2nccn2C)c1
InChIInChI=1S/C20H19F2N3O2/c1-25-9-8-23-20(25)19(14-6-7-16(21)17(22)12-14)24-18(26)11-13-4-3-5-15(10-13)27-2/h3-10,12,19H,11H2,1-2H3,(H,24,26)
InChIKeyNEEYDJPKDZDYJJ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.16
Rot. Bonds6

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

N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 16675059) 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-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
PubChem CID16675059
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC NameN-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC(c2ccc(F)c(F)c2)c2nccn2C)c1
InChIInChI=1S/C20H19F2N3O2/c1-25-9-8-23-20(25)19(14-6-7-16(21)17(22)12-14)24-18(26)11-13-4-3-5-15(10-13)27-2/h3-10,12,19H,11H2,1-2H3,(H,24,26)
InChIKeyNEEYDJPKDZDYJJ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide (CID 16675059) is N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC(c2ccc(F)c(F)c2)c2nccn2C)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is NEEYDJPKDZDYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-25-9-8-23-20(25)19(14-6-7-16(21)17(22)12-14)24-18(26)11-13-4-3-5-15(10-13)27-2/h3-10,12,19H,11H2,1-2H3,(H,24,26).
What are the key properties of N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide?
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 3.16, 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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 16675059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).