N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide

C14H16BrN3O2 — CID 116625100

IUPACN-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)n1ccn(CC(=O)Nc2ccc(Br)cc2)c1=O
InChIInChI=1S/C14H16BrN3O2/c1-10(2)18-8-7-17(14(18)20)9-13(19)16-12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyHPTJRXZRVFSWRG-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.63
Rot. Bonds4

About N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide

N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide (PubChem CID 116625100) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
PubChem CID116625100
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)n1ccn(CC(=O)Nc2ccc(Br)cc2)c1=O
InChIInChI=1S/C14H16BrN3O2/c1-10(2)18-8-7-17(14(18)20)9-13(19)16-12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyHPTJRXZRVFSWRG-UHFFFAOYSA-N
XLogP2.63
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
CID 116624934
N-(4-bromophenyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624275
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 66308143
N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
CID 116546776
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223377
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
N-(4-bromophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099508
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
1-(3-methyl-2-oxopentyl)-3-propan-2-ylimidazol-2-one
CID 80581530
(2S)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpropanoate
CID 9484334

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide (CID 116625100) is N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide is CC(C)n1ccn(CC(=O)Nc2ccc(Br)cc2)c1=O.
What is the InChIKey of N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
The InChIKey is HPTJRXZRVFSWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-10(2)18-8-7-17(14(18)20)9-13(19)16-12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3,(H,16,19).
What are the key properties of N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide has a molecular weight of 338.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 116625100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).