N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide

C12H11F2N3O — CID 110474626

IUPACN-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide
SMILESCn1ccnc1CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2N3O/c1-17-5-4-15-11(17)7-12(18)16-8-2-3-9(13)10(14)6-8/h2-6H,7H2,1H3,(H,16,18)
InChIKeyRGBKMFYWLXGGJC-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.88
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide

N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide (PubChem CID 110474626) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide
PubChem CID110474626
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide
SMILESCn1ccnc1CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2N3O/c1-17-5-4-15-11(17)7-12(18)16-8-2-3-9(13)10(14)6-8/h2-6H,7H2,1H3,(H,16,18)
InChIKeyRGBKMFYWLXGGJC-UHFFFAOYSA-N
XLogP1.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474605
N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474684
2-(1-methylimidazol-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110474647
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3,4-difluorophenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 71940458
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
N-(3,4-difluorophenyl)propanamide
CID 4285365
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110428961
1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea
CID 118766238
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide
CID 110688754

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide (CID 110474626) is N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide is Cn1ccnc1CC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide?
The InChIKey is RGBKMFYWLXGGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-17-5-4-15-11(17)7-12(18)16-8-2-3-9(13)10(14)6-8/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide?
N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide has a molecular weight of 251.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 110474626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).