2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide

C14H17BrN4O — CID 66162816

IUPAC2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
SMILESCC(C)n1cncc1C(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C14H17BrN4O/c1-9(2)19-8-17-7-12(19)13(14(16)20)18-11-6-4-3-5-10(11)15/h3-9,13,18H,1-2H3,(H2,16,20)
InChIKeyPBBRXOTZPJWWBG-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.87
Rot. Bonds5

About 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide

2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide (PubChem CID 66162816) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
PubChem CID66162816
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
SMILESCC(C)n1cncc1C(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C14H17BrN4O/c1-9(2)19-8-17-7-12(19)13(14(16)20)18-11-6-4-3-5-10(11)15/h3-9,13,18H,1-2H3,(H2,16,20)
InChIKeyPBBRXOTZPJWWBG-UHFFFAOYSA-N
XLogP2.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66163017
2-(2-bromoanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130419
2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164837
2-(propan-2-ylamino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162615
2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
CID 66164809
methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66162021
2-(3-propan-2-ylimidazol-4-yl)-2-(propylamino)acetamide
CID 66163621
2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide
CID 66119000
2-(2-bromoanilino)-2-(2-bromophenyl)acetamide
CID 54892174
2-[2-(dimethylamino)ethylamino]-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66163422
2-(2-bromoanilino)-2-(2-chlorophenyl)acetamide
CID 54892077
2-(2-bromoanilino)-2-(5-methylthiophen-2-yl)acetamide
CID 61347550

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide?
The IUPAC name of 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide (CID 66162816) is 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide?
The canonical SMILES for 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide is CC(C)n1cncc1C(Nc1ccccc1Br)C(N)=O.
What is the InChIKey of 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide?
The InChIKey is PBBRXOTZPJWWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-9(2)19-8-17-7-12(19)13(14(16)20)18-11-6-4-3-5-10(11)15/h3-9,13,18H,1-2H3,(H2,16,20).
What are the key properties of 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide?
2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide has a molecular weight of 337.22 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide is sourced from PubChem (CID 66162816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).