2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide

C12H12ClFN4O — CID 114239356

IUPAC2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide
SMILESCn1c(Cl)cnc1C(Nc1ccccc1F)C(N)=O
InChIInChI=1S/C12H12ClFN4O/c1-18-9(13)6-16-12(18)10(11(15)19)17-8-5-3-2-4-7(8)14/h2-6,10,17H,1H3,(H2,15,19)
InChIKeyCJXFBMWTAHUKJC-UHFFFAOYSA-N
MW282.71 g/mol
LogP1.85
Rot. Bonds4

About 2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide

2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide (PubChem CID 114239356) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide
PubChem CID114239356
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide
SMILESCn1c(Cl)cnc1C(Nc1ccccc1F)C(N)=O
InChIInChI=1S/C12H12ClFN4O/c1-18-9(13)6-16-12(18)10(11(15)19)17-8-5-3-2-4-7(8)14/h2-6,10,17H,1H3,(H2,15,19)
InChIKeyCJXFBMWTAHUKJC-UHFFFAOYSA-N
XLogP1.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide
CID 114239350
2-(5-chloro-2-fluorophenyl)-2-(2-fluoroanilino)acetamide
CID 114843546
2-(2-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937351
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
2-(4-ethylphenyl)-2-(2-fluoroanilino)acetamide
CID 60997046
2-(2-fluoroanilino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62122201
2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetamide
CID 61347940
2-(2-fluoroanilino)butanamide
CID 60995502
methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 60993465
2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide
CID 66119000
ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 61001750
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide?
The IUPAC name of 2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide (CID 114239356) is 2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide.
What is the SMILES notation for 2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide?
The canonical SMILES for 2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide is Cn1c(Cl)cnc1C(Nc1ccccc1F)C(N)=O.
What is the InChIKey of 2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide?
The InChIKey is CJXFBMWTAHUKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-18-9(13)6-16-12(18)10(11(15)19)17-8-5-3-2-4-7(8)14/h2-6,10,17H,1H3,(H2,15,19).
What are the key properties of 2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide?
2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide has a molecular weight of 282.71 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylimidazol-2-yl)-2-(2-fluoroanilino)acetamide is sourced from PubChem (CID 114239356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).