2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide

C12H13ClN4O — CID 66119000

IUPAC2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide
SMILESCn1cncc1C(Nc1ccccc1Cl)C(N)=O
InChIInChI=1S/C12H13ClN4O/c1-17-7-15-6-10(17)11(12(14)18)16-9-5-3-2-4-8(9)13/h2-7,11,16H,1H3,(H2,14,18)
InChIKeyXCKCQOWVVFBAOS-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.71
Rot. Bonds4

About 2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide

2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide (PubChem CID 66119000) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide
PubChem CID66119000
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide
SMILESCn1cncc1C(Nc1ccccc1Cl)C(N)=O
InChIInChI=1S/C12H13ClN4O/c1-17-7-15-6-10(17)11(12(14)18)16-9-5-3-2-4-8(9)13/h2-7,11,16H,1H3,(H2,14,18)
InChIKeyXCKCQOWVVFBAOS-UHFFFAOYSA-N
XLogP1.71
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.71
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-(2-chloroanilino)-2-(2-chlorophenyl)acetamide
CID 54892395
2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61005849
2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130419
2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162816
2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66163017
2-(2-chloroanilino)-2-(2-ethylphenyl)acetamide
CID 62416652
2-(2-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide
CID 66268891
2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide
CID 61006312
2-(cyclopropylmethylamino)-2-(3-methylimidazol-4-yl)acetamide
CID 66117112
2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130816
2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
CID 115990145

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide?
The IUPAC name of 2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide (CID 66119000) is 2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide?
The canonical SMILES for 2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide is Cn1cncc1C(Nc1ccccc1Cl)C(N)=O.
What is the InChIKey of 2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide?
The InChIKey is XCKCQOWVVFBAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-17-7-15-6-10(17)11(12(14)18)16-9-5-3-2-4-8(9)13/h2-7,11,16H,1H3,(H2,14,18).
What are the key properties of 2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide?
2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide has a molecular weight of 264.72 g/mol, XLogP of 1.71, 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-(3-methylimidazol-4-yl)acetamide is sourced from PubChem (CID 66119000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).