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

C12H12Cl2N4O — CID 114239350

IUPAC2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide
SMILESCn1c(Cl)cnc1C(Nc1ccccc1Cl)C(N)=O
InChIInChI=1S/C12H12Cl2N4O/c1-18-9(14)6-16-12(18)10(11(15)19)17-8-5-3-2-4-7(8)13/h2-6,10,17H,1H3,(H2,15,19)
InChIKeySSWAXNTZXDZICV-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.37
Rot. Bonds4

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

2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide (PubChem CID 114239350) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide
PubChem CID114239350
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide
SMILESCn1c(Cl)cnc1C(Nc1ccccc1Cl)C(N)=O
InChIInChI=1S/C12H12Cl2N4O/c1-18-9(14)6-16-12(18)10(11(15)19)17-8-5-3-2-4-7(8)13/h2-6,10,17H,1H3,(H2,15,19)
InChIKeySSWAXNTZXDZICV-UHFFFAOYSA-N
XLogP2.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66268891
2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide
CID 61006312
2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide
CID 105401788
2-(2-chloroanilino)-2-(2,4-difluorophenyl)acetamide
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CID 61006310

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide (CID 114239350) is 2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide is Cn1c(Cl)cnc1C(Nc1ccccc1Cl)C(N)=O.
What is the InChIKey of 2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide?
The InChIKey is SSWAXNTZXDZICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-18-9(14)6-16-12(18)10(11(15)19)17-8-5-3-2-4-7(8)13/h2-6,10,17H,1H3,(H2,15,19).
What are the key properties of 2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide?
2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide has a molecular weight of 299.16 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 114239350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).